SCHEMBL399327

SCHEMBL399327

CC(C)(C)c1cc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.50
AOC3 Q16853 2/20 0.48
BRD4 O60885 1/20 0.47
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
KDM4E B2RXH2 6/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
MEN1 O00255 2/20 0.44
CASP3 P42574 2/20 0.44
KMT2A Q03164 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
FLT3 P36888 1/20 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
SCHEMBL30435112 1.00 AHR (0.50) AHRAOC3BRD4RAB9ANPC1
SCHEMBL1685392 0.87 AHR (0.50) AHRAOC3BRD4RAB9ANPC1
SCHEMBL19342487 0.84 AHR (0.38) AHRAOC3BRD4RAB9ANPC1
SCHEMBL5692312 0.83 AHR (0.56) AHRAOC3BRD4RAB9ANPC1
SCHEMBL26462532 0.83 AHR (0.47) AHRAOC3BRD4RAB9ANPC1
SCHEMBL28864005 0.82 AHR (0.53) AHRAOC3BRD4RAB9ANPC1
SCHEMBL12045263 0.80 KDM4E (0.46) AHRAOC3BRD4RAB9ANPC1
SCHEMBL7379568 0.80 AHR (0.45) AHRAOC3BRD4RAB9ANPC1
SCHEMBL14694209 0.80 AOC3 (0.56) AHRAOC3BRD4RAB9ANPC1
SCHEMBL7022968 0.80 AHR (0.51) AHRAOC3BRD4RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239981-A Phosphonite ligand, catalyst and application thereof in hydroformylation reaction 万华化学集团股份有限公司 2024-06-25 CN claimed
CN-113045724-B Phosphonic acid water reducing agent containing indole skeleton structure, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2022-07-08 CN claimed
CN-113045724-A Phosphonic acid water reducing agent containing indole skeleton structure, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2021-06-29 CN claimed
WO-2026103793-A1 TRICYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海翰森生物医药科技有限公司 2026-05-21 WO disclosed
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
CN-118354623-A Light emitting device, light emitting apparatus, electronic device, and lighting apparatus 株式会社半导体能源研究所 2024-07-16 CN disclosed
US-12037342-B2 Substituted eneoxindoles and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-16 US disclosed
US-7160933-B2 Image quality and durability; scratch and smudge resistance; water, humectant and particles comprised of water insoluble dye and polymer phase associated with costabilizer EASTMAN KODAK COMPANY (US) 2007-01-09 US disclosed
EP-1460113-B1 Stable ink jet ink composition and printing method EASTMAN KODAK CO (US) 2006-06-14 EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 WO disclosed
US-20040186198-A1 Stable ink jet ink composition and printing method EASTMAN KODAK COMPANY 2004-09-23 US disclosed
EP-1460113-A1 Stable ink jet ink composition and printing method EASTMAN KODAK COMPANY (US) 2004-09-22 EP disclosed
US-6433112-B1 COORDINATION POLYMERIZATION CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2002-08-13 US disclosed
US-6239062-B1 ORGANOMETALLIC COMPOUND OF A GROUP 3 TO 10 TRANSITION OR LANTHANIDE METAL AND A MULTIDENTATE LIGAND CHARACTERIZED BY AN INDOLYL GROUP LINKED TO AN AMIDO GROUP, WHERE THE INDOLYL IS PI-BONDED AND THE AMIDO GROUP IS SIGMA BONDED TO THE METAL EQUISTAR CHEMICALS, L.P. 2001-05-29 US disclosed
US-3987059-A ALKYL LITHIUM, CYCLIZATION, DEMETALLIZATION SANDOZ, INC. (US) 1976-10-19 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 (4 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-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LPAR1 AHR 2740/4885AOC3 351/4885BRD4 3044/4885
US-12037342-B2 Substituted eneoxindoles and uses thereof HIPK1, HPGDS, HIPK3 AHR 409/4885AOC3 1555/4885BRD4 1190/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 AHR 1841/4885AOC3 3724/4885BRD4 2321/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 AHR 2681/4885AOC3 1930/4885BRD4 528/4885

“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.