SCHEMBL1663207

SCHEMBL1663207

CC(C=O)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ UGT2B7 P16662 1/20 0.57
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ MMP9 P14780 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ ADRA2A P08913 3/20 0.41
▸ ADRA2B P18089 3/20 0.41
▸ ADRA2C P18825 3/20 0.41
▸ AOC3 Q16853 1/20 0.41
▸ CYP2A6 P11509 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL29809804 1.00 UGT2B7 (0.57) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL10381408 1.00 UGT2B7 (0.57) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL29594785 0.92 UGT2B7 (0.43) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL11801547 0.90 TYR (0.44) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL11743708 0.86 TYR (0.44) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL11744081 0.83 ESR1 (0.46) UGT2B7
SCHEMBL25455654 0.82 CYP2A6 (0.50) UGT2B7CYP1A2TSHRCYP2A6TDP1
SCHEMBL11747502 0.82 CYP2A6 (0.50) UGT2B7CYP1A2TSHRCYP2A6TDP1
SCHEMBL10650252 0.82 UGT2B7 (0.59) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL11704205 0.81 AKR1B1 (0.62) UGT2B7MEN1KMT2ACYP1A2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689848-A Spice composition 奇华顿股份有限公司 2019-04-26 — — CN claimed
CN-103958047-B Microcapsules and their use 弗门尼舍有限公司 2017-03-01 — — CN claimed
CN-103958047-A Microcapsules and their use FIRMENICH & CIE 2014-07-30 — — CN claimed
US-20120277164-A1 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 — — US claimed
EP-2491051-A2 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2012-08-29 — — EP claimed
CN-101076315-B Sterilization preparation GIVAUDAN SA 2012-03-21 — — CN claimed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 — — WO claimed
CN-101076315-A Sterilization preparation GIVAUDAN SA (CH) 2007-11-21 — — CN claimed
CN-1228298-C Perfumery precursor GIVAUDAN SA (CH) 2005-11-23 — — CN claimed
CN-1205199-C Perfume parent GIVAUDAN SA (CH) 2005-06-08 — — CN claimed
CN-1160306-C Slow release of fragrant compounds is perfoumery using 2-benzoyl benzoates, 2-alkanoyl benzoates or alpha-keto esters — 2004-08-04 — — CN claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 — — US claimed
CN-1330070-A Perfume parent GIVAUDAN SA (CH) 2002-01-09 — — CN claimed
CN-1317475-A Perfumery precursor GIVAUDAN SA (CH) 2001-10-17 — — CN claimed
CN-1302286-A Slow release of fragrant compounds is perfoumery using 2-benzoyl benzoates, 2-alkanoyl benzoates or alpha-keto esters FIRMENICH & CIE (CH) 2001-07-04 — — CN claimed
CN-111936457-B Enol ether pro-fragrances 弗门尼舍有限公司 2025-02-25 — — CN disclosed
US-12168224-B2 Optically pure enantiomers of ruthenium complexes and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-12-17 — — US disclosed
US-5574171-A OF VINYL COMPOUNDS TO PRODUCE 2-SUBSTITUTED 1-PROPANALS, A METAL COMPLEX OF A DIPHOSPHINOGLUCOPYRANOSIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-12 — — US disclosed
US-5475146-A Reacting vinyl compound with carbon monoxide and hydrogen in presence of catalyst containing cobalt, rhodium, platinum and/or iridium and chiral carbohydrate phosphorus ligand substituted with electron withdrawing groups E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-12-12 — — US disclosed
WO-1995006627-A1 ENANTIOSELECTIVE HYDROFORMYLATION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-03-09 — — WO 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 (2 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-12168224-B2 Optically pure enantiomers of ruthenium complexes and uses thereof SQLE, POR, CYP11B2 UGT2B7 200/4885MEN1 2116/4885KMT2A 4811/4885
US-20120277164-A1 GADD45BETA TARGETING AGENTS DDB1, CCL2, DDIT3 UGT2B7 3583/4885MEN1 2974/4885KMT2A 3039/4885

“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.

Send feedback