SCHEMBL477006

SCHEMBL477006

CC(C)COc1ccccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
KMT2A Q03164 2/20 0.59
PTK2B Q14289 1/20 0.59
KDM4E B2RXH2 7/20 0.57
HTT P42858 3/20 0.57
HSD17B10 Q99714 5/20 0.54
HPGD P15428 3/20 0.54
TSHR P16473 2/20 0.53
ESR1 P03372 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
HMGB1 P09429 1/20 0.53
GGT1 P19440 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
BLM P54132 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.51
RECQL P46063 1/20 0.51

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
Benzene SCHEMBL28043964 0.98 ALDH1A1 (0.57) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL17799583 0.98 ALDH1A1 (0.57) ALDH1A1KMT2APTK2BKDM4EHTT
Bicarbonate SCHEMBL20694841 0.98 ALDH1A1 (0.57) ALDH1A1KMT2APTK2BKDM4EHTT
Bicarbonate SCHEMBL29943829 0.98 ALDH1A1 (0.57) ALDH1A1KMT2APTK2BKDM4EHTT
Bicarbonate SCHEMBL236893 0.98 ALDH1A1 (0.57) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL235783 0.89 ALDH1A1 (0.55) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL30174106 0.86 ALDH1A1 (0.56) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL1268613 0.86 KDM4E (0.58) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL30136451 0.86 ALDH1A1 (0.59) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL3339926 0.86 ABCB1 (0.64) ALDH1A1KMT2AKDM4EHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400784-A1 Method for Screening Solvent for Extracting Polyvinyl Chloride, Method for Recycling Waste, Recycled Polyvinyl Chloride, and Composition LG CHEM, LTD. (KR) 2024-12-05 US claimed
US-20240392094-A1 Method for Screening Solvent for Polyvinyl Chloride Extraction, Recycling Method for Waste Material, and Recycled Polyvinyl Chloride and Composition LG CHEM, LTD. (KR) 2024-11-28 US claimed
WO-2023033601-A1 METHOD FOR SCREENING SOLVENT FOR POLYVINYL CHLORIDE EXTRACTION, RECYCLING METHOD FOR WASTE MATERIAL, AND RECYCLED POLYVINYL CHLORIDE AND COMPOSITION 주식회사 엘지화학 2023-03-09 WO claimed
WO-2023033605-A1 METHOD FOR SCREENING SOLVENT FOR EXTRACTING POLYVINYL CHLORIDE, METHOD FOR RECYCLING WASTE, RECYCLED POLYVINYL CHLORIDE, AND COMPOSITION 주식회사 엘지화학 2023-03-09 WO claimed
EP-3452128-B1 MODIFIED BIODEGRADABLE AND MEDICAL POLYMER DEVICES AND A METHOD FOR PREPARING THE SAME BEIJING ADVANCED MEDICAL TECH LTD INC (CN) 2021-10-27 EP claimed
EP-2178491-B1 MIXTURES COMPRISING BENZOTRIAZOLES AND MEROCYANINES BASF SE (DE) 2017-03-22 EP claimed
US-20160346181-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2016-12-01 US claimed
US-9365596-B2 Method for preparing quaternary phosphonium salts MICROVAST POWER SYSTEMS CO., LTD. (CN) 2016-06-14 US claimed
WO-2016005149-A1 LOW-ODOR POLYURETHANE SYSTEMS EVONIK DEGUSSA GMBH (DE) 2016-01-14 WO claimed
US-20150166587-A1 METHOD FOR PREPARING QUATERNARY PHOSPHONIUM SALTS MICROVAST POWER SYSTEMS CO., LTD. (CN) 2015-06-18 US claimed
EP-1968531-B1 TOPICAL COMPOSITIONS FOR REDUCING SKIN IRRITATION GIVAUDAN SA (CH) 2014-12-31 EP claimed
WO-2014187576-A1 DEODORIZING ACTIVE INGREDIENT COMBINATION HENKEL AG & CO. KGAA (DE) 2014-11-27 WO claimed
EP-2020225-B1 Fragrance composition KAO CORP (JP) 2014-10-08 EP claimed
US-20120184513-A1 Organic Compounds GIVAUDAN SA (CH) 2012-07-19 US claimed
EP-2211829-B1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO KGAA (DE) 2011-04-27 EP claimed
EP-2211829-A1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS Henkel AG & Co. KGaA (DE) 2010-08-04 EP claimed
US-20100063011-A1 Organic compounds GIVAUDAN SA (CH) 2010-03-11 US claimed
WO-2009059858-A1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO. KGAA (DE) 2009-05-14 WO claimed
EP-1968531-A2 TOPICAL COMPOSITIONS FOR REDUCING SKIN IRRITATION Givaudan SA (CH) 2008-09-17 EP claimed
WO-2007030961-A2 TOPICAL COMPOSITIONS FOR REDUCING SKIN IRRITATION GIVAUDAN SA (CH) 2007-03-22 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 (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-20100063011-A1 Organic compounds CYP1A1, CYP1B1, OXER1 ALDH1A1 236/4885KMT2A 3044/4885PTK2B 829/4885
US-20120184513-A1 Organic Compounds CYP1A1, CYP1B1, OXER1 ALDH1A1 236/4885KMT2A 3044/4885PTK2B 829/4885
US-20160346181-A1 ORGANIC COMPOUNDS CYP1A1, CYP1B1, OXER1 ALDH1A1 236/4885KMT2A 3044/4885PTK2B 829/4885
US-20150166587-A1 METHOD FOR PREPARING QUATERNARY PHOSPHONIUM SALTS PHPT1, PHOSPHO1, PTEN ALDH1A1 4827/4885KMT2A 2330/4885PTK2B 574/4885

“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.