SCHEMBL1453650

SCHEMBL1453650

COc1ccc(CB(O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.52
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ ENPP2 Q13822 1/20 0.52
▸ CA12 O43570 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ CALM1 P0DP23 1/20 0.48
▸ AGXT P21549 2/20 0.48
▸ LTA4H P09960 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ LDHA P00338 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL7032199 0.86 IDO1 (0.52) IDO1CA1CA2ENPP2CA12
SCHEMBL28200387 0.83 IDO1 (0.48) IDO1CA1CA2ENPP2CA12
SCHEMBL3898145 0.81 IDO1 (0.56) IDO1CA1CA2CA12CA7
SCHEMBL28046123 0.79 IDO1 (0.45) IDO1CA1CA2ENPP2CA12
SCHEMBL28891213 0.78 TAAR1 (0.55) IDO1CA1CA2CALM1TAAR1
SCHEMBL19956177 0.77 APP (0.31) LTA4H
1,4-Dimethoxybenzene SCHEMBL27700725 0.77 CA1 (0.85) CA1CA2ENPP2CA12CA7
Methyl Alcohol SCHEMBL28311094 0.76 IDO1 (0.56) IDO1CA1CA2CA12CA7
SCHEMBL31219037 0.76 KMT2A (0.50) ALDH1A1PKMCYP3A4TSHR
SCHEMBL3283941 0.75 TAAR1 (0.55) IDO1ENPP2AGXTTAAR1ALDH1A1

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
CN-119912414-A Method for efficiently synthesizing Maculalactone A framework based on Suzuki-Miyaura cross coupling reaction 山东大学 2025-05-02 — — CN disclosed
CN-111315735-B Dihydrobenzimidazolone C4医药公司 2024-03-08 — — CN disclosed
CN-108219431-B Polycarbonate resin molding material 出光兴产株式会社 2021-12-24 — — CN disclosed
CN-111315735-A Dihydrobenzimidazolones C4医药公司 2020-06-19 — — CN disclosed
CN-110475773-A 8- phenyl isoquinolin quinoline and its medical composition are for treating irritable bowel syndrome YU LINDA CHIA HUI 2019-11-19 — — CN disclosed
CN-105683183-B The pyridine being substituted-piperazinyl analog as RSV antiviral compounds 爱尔兰詹森科学公司 2018-06-22 — — CN disclosed
CN-105531264-B Antibacterial 2H-indazole derivatives 爱杜西亚药品有限公司 2018-04-10 — — CN disclosed
CN-104540828-B As the substituted pyrazoloquinazolone and pyrrolo- quinazolinone of the allosteric modulators of II group metabotropic glutamate receptors 多曼治疗学公司 2017-06-13 — — CN disclosed
CN-106795191-A Novel precatalyst scaffolds for crosslinking reactions and methods of making and using same 耶鲁大学 2017-05-31 — — CN disclosed
CN-104364258-B Spirotetrahydro-benzothiophene derivatives for the treatment of neurodegenerative diseases 阿瑞斯贸易股份有限公司 2017-05-24 — — CN disclosed
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 — — CN disclosed
WO-2006075328-A1 COMPOUNDS HAVING IMPROVED 2-PHOTON ABSORBANCE FOR NONLINEAR APPLICATIONS MEMPILE INC. (US) 2006-07-20 — — WO disclosed
US-20060160968-A1 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-07-20 — — US disclosed
WO-2006065844-A2 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 — — WO disclosed
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 — — US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 — — US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 — — EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 — — US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 — — US disclosed
US-20020161230-A1 Process for preparing boronic and borinic acids CLARIANT GMBH 2002-10-31 — — 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-20020161230-A1 Process for preparing boronic and borinic acids BZW1, CYP2W1, BZW2 IDO1 638/4885CA1 944/4885CA2 390/4885
US-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A IDO1 112/4885CA1 3547/4885CA2 4329/4885
US-20060160968-A1 Process for producing substituted metallocene compounds for olefin polymerization OSBP, OSBPL3, OSBP2 IDO1 2919/4885CA1 1116/4885CA2 2434/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 IDO1 74/4885CA1 3105/4885CA2 4267/4885

“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.

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