SCHEMBL458391

SCHEMBL458391

COc1cccc(-c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2E1 P05181 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C8 P10632 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2A6 P11509 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP4B1 P13584 1/20 0.64
CYP2B6 P20813 1/20 0.64
CYP3A5 P20815 1/20 0.64
CYP2A7 P20853 1/20 0.64
CYP3A7 P24462 1/20 0.64
CYP2F1 P24903 1/20 0.64
CYP2C18 P33260 1/20 0.64
CYP2C19 P33261 1/20 0.64
CYP2J2 P51589 1/20 0.64
CYP4F2 P78329 1/20 0.64
CYP4F8 P98187 1/20 0.64
CYP4A11 Q02928 1/20 0.64

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
SCHEMBL29740761 1.00 CYP1A1 (0.64) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL13247865 0.98 ABL1 (0.64) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
Hydrochloric Acid SCHEMBL28963139 0.96 CYP1A2 (0.59) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
Methylamine SCHEMBL27666960 0.96 MAOB (0.61) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
Methyl Alcohol SCHEMBL28369741 0.96 HDAC4 (0.59) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
Methane SCHEMBL28582279 0.96 CYP1A2 (0.59) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL28102064 0.96 CYP1A2 (0.72) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
Formaldehyde SCHEMBL21629200 0.94 HDAC4 (0.58) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
Cyanide SCHEMBL27973193 0.94 CYP1A2 (0.57) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL1180343 0.93 ABL1 (0.69) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113651758-B Synthetic method of benzo-hydrogenated imidazolone framework 南通大学 2023-03-14 CN claimed
CN-112300599-B Hydrophilic anthracene fluorescent dye and synthetic method thereof 赛纳生物科技(北京)有限公司 2023-01-03 CN claimed
CN-112831206-B Inorganic oxide dispersion with controllable water content and preparation method thereof 凯斯科技股份有限公司 2022-12-30 CN claimed
EP-3674303-B1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME GWANGJU INST SCIENCE & TECH (KR) 2022-07-20 EP claimed
CN-112300599-A Hydrophilic anthracene fluorescent dye and synthetic method thereof 赛纳生物科技(北京)有限公司 2021-02-02 CN claimed
CN-107556486-B Rare earth organic framework material for iron ion fluorescence detection and preparation method thereof 中国计量大学 2020-08-18 CN claimed
CN-109796312-A A kind of synthetic method of 3- xenol 上海阿拉丁生化科技股份有限公司 2019-05-24 CN claimed
EP-2001485-B1 DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2015-09-09 EP claimed
EP-2049110-B1 BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-08-20 EP claimed
US-8618102-B2 Bridged diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-12-31 US claimed
EP-1667958-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2006-06-14 EP claimed
WO-2005033063-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2005-04-14 WO claimed
US-20050075324-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2005-04-07 US claimed
EP-1034164-B1 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2004-05-19 EP claimed
US-6645939-B1 Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment MERCK & CO., INC. 2003-11-11 US claimed
EP-1034164-A4 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2001-07-11 EP claimed
EP-1034164-A1 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS Merck & Co., Inc. (US) 2000-09-13 EP claimed
WO-1999026922-A1 SUBSTITUTED PYRROLE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-06-03 WO claimed
WO-1999026921-A1 SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-06-03 WO claimed
WO-1999025707-A1 2-ARYLBENZO[b]THIOPHENES USEFUL FOR THE TREATMENT OF ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 1999-05-27 WO claimed

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

For each of this compound's patents that has machine-readable text (1 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-20050075324-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R CYP1A1 1346/4885CYP1A2 690/4885CYP2E1 2389/4885

“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.