SCHEMBL9812331

SCHEMBL9812331

CC(C)(C)Nc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
CYP3A4 P08684 5/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 4/20 0.46
ESR1 P03372 4/20 0.46
ESR2 Q92731 3/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.46
TYR P14679 2/20 0.46
AR P10275 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR6 P50406 1/20 0.46
ESRRG P62508 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CA12 O43570 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9023209 0.97 IDO1 (0.45) IDO1CYP3A4HPGDHSD17B10ESR1
SCHEMBL12347512 0.87 MEN1 (0.56) HPGDESR1ESR2LMNAAR
SCHEMBL4603900 0.86 IDO1 (0.39) IDO1CYP3A4HPGDHSD17B10TSHR
SCHEMBL14680472 0.82 CYP3A4 (0.44) CYP3A4HPGDHSD17B10ESR1ESR2
SCHEMBL21790728 0.78 ESR1 (0.48) CYP3A4HPGDHSD17B10ESR1ESR2
SCHEMBL29391961 0.77 ESR1 (0.45) CYP3A4HPGDHSD17B10ESR1ESR2
SCHEMBL5983235 0.76 NPC1 (0.48) HPGDTSHRLMNAALDH1A1MAPT
SCHEMBL1715955 0.75 ESR1 (0.42) CYP3A4HPGDHSD17B10ESR1ESR2
SCHEMBL1011188 0.74 ALDH1A1 (0.44) CYP3A4LMNAALDH1A1MAPTMEN1
SCHEMBL7227231 0.74 POLB (0.53) TSHRLMNASLC6A2SLC6A4SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2024-03-05 US disclosed
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2023-12-05 US disclosed
CN-112804905-A Midsole structure for an article of footwear comprising a mesh 耐克创新有限合伙公司 2021-05-14 CN disclosed
CN-107207690-B Polyurethane foams based on polycarbonate polyols 科思创德国股份有限公司 2020-12-22 CN disclosed
US-20200148643-A1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2020-05-14 US disclosed
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US disclosed
US-10577328-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases TAIPEI MEDICAL UNIVERSITY (TW) 2020-03-03 US disclosed
US-10577346-B2 Benzobicycloalkane derivatives, their preparation and pharmaceutical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-03-03 US disclosed
US-20190161468-A1 BENZODICYCLOALKANE DERIVATIVE, PREPARATION METHOD AND USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2019-05-30 US disclosed
CN-105778179-B A kind of rubber composition and application 南京思凯橡塑制品有限公司 2018-02-02 CN disclosed
US-20110034529-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2011-02-10 US disclosed
US-20110034529-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2011-02-10 US disclosed
US-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION BAYER HEALTHCARE AG (DE) 2010-05-06 US disclosed
US-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2009-06-25 US disclosed
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2008-04-24 US disclosed
US-7358370-B2 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide SERENEX, INC. (US) 2008-04-15 US disclosed
EP-0434080-A1 Derivatives of N-hals-substituted amic acid hydrazides ELF ATOCHEM NORTH AMERICA, INC. (US) 1991-06-26 EP disclosed
US-4148908-A BRONCHODILATORS MEAD JOHNSON & COMPANY (US) 1979-04-10 US disclosed
US-4055658-A BETA-ADRENERGIC STIMULANTS, BRONCHIAL MEAD JOHNSON & COMPANY (US) 1977-10-25 US disclosed
US-4004053-A FIREPROOFING ACRYLONITRILE POLYMERS CELANESE CORPORATION (US) 1977-01-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200148643-A1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES UBQLN1, UBQLN2, PSMB1 IDO1 1190/4885CYP3A4 4420/4885HPGD 2208/4885
US-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 IDO1 2149/4885CYP3A4 1143/4885HPGD 1402/4885
US-20190161468-A1 BENZODICYCLOALKANE DERIVATIVE, PREPARATION METHOD AND USE THEREOF CYP3A7, CYP2A7, CYP2J2 IDO1 3408/4885CYP3A4 32/4885HPGD 416/4885
US-10577328-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases PSMB1, UBQLN1, PSMB5 IDO1 1180/4885CYP3A4 4179/4885HPGD 2018/4885
US-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION PTGIR, PTGIS, EDNRB IDO1 1894/4885CYP3A4 2340/4885HPGD 38/4885
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 IDO1 2149/4885CYP3A4 1143/4885HPGD 1402/4885
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases KEAP1, GOT2, COL1A1 IDO1 1299/4885CYP3A4 2517/4885HPGD 232/4885
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases UBQLN1, PSMB1, UBQLN2 IDO1 2065/4885CYP3A4 3771/4885HPGD 1604/4885
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 IDO1 365/4885CYP3A4 45/4885HPGD 752/4885
US-10577346-B2 Benzobicycloalkane derivatives, their preparation and pharmaceutical use thereof CYP3A7, UGT2B7, BDKRB1 IDO1 3115/4885CYP3A4 35/4885HPGD 808/4885
US-20110034529-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 IDO1 365/4885CYP3A4 45/4885HPGD 752/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.