SCHEMBL157134

SCHEMBL157134

CC(C)(C)Cc1ccc(CCC=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.48
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
SLC6A2 P23975 2/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
HRH1 P35367 1/20 0.32
HTR2B P41595 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HSD11B1 P28845 1/20 0.32
BLM P54132 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
ESR2 Q92731 1/20 0.31
GFER P55789 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL20399310 0.84 ESR1 (0.36) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL9671868 0.82 HIF1A (0.37) ESR1THRBESR2GFER
SCHEMBL1611299 0.79 ESR1 (0.48) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL1864936 0.79 TP53 (0.52) TP53TSHR
SCHEMBL66122 0.79 TP53 (0.52) TP53TSHR
Methane SCHEMBL9798334 0.78 TP53 (0.50) TP53TSHR
SCHEMBL23248044 0.77 ESR1 (0.35) ESR1THRATHRB
SCHEMBL6685103 0.76 ESR1 (0.74) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL28208701 0.76 HRH3 (0.40) SLC6A2
SCHEMBL910882 0.76 THRB (0.47) THRBTSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115919665-A Composition comprising a plurality of populations of microcapsules comprising perfume 宝洁公司 2023-04-07 CN disclosed
EP-2435485-B1 A POLYMER MADE OF A PRIMARY AMINE FUNCTIONALIZED POLYMER AND A HEMICELLULOSE CELLUTECH AB (SE) 2019-01-09 EP disclosed
US-9133578-B2 Polymer made of a primary amine functionalized polymer and a hemicellulose CELLUTECH AB (SE) 2015-09-15 US disclosed
US-20120058536-A1 POLYMER MADE OF A PRIMARY AMINE FUNCTIONALIZED POLYMER AND A HEMICELLULOSE SWETREE TECHNOLOGIES AB (SE) 2012-03-08 US disclosed
US-8021436-B2 Cleaning and/or treatment compositions comprising a xyloglucan conjugate THE PROCTER & GAMBLE COMPANY (US) 2011-09-20 US disclosed
EP-1632281-B1 Process for absorbing hydrophobic substances in polymers having an hollow structure ROHM & HAAS (US) 2011-09-14 EP disclosed
US-7816566-B2 p-Menthan-3-ol alkylated derivatives and their use as refreshing agents ROBERTET S.A. (FR) 2010-10-19 US disclosed
EP-0950087-B1 COMPOSITIONS CONTAINING PERFUME GIVAUDAN NEDERLAND SERVICES B (NL) 2010-08-11 EP disclosed
EP-2193189-A2 CLEANING AND/OR TREATMENT COMPOSITIONS The Procter & Gamble (US) 2010-06-09 EP disclosed
US-20090163733-A1 P-menthan-3-ol alkylated derivatives and their use as refreshing agents ROBERTET S.A. (FR) 2009-06-25 US disclosed
US-6024943-A POLYMER CORES WITH COATINGS QUEST INTERNATIONAL B.V. (NL) 2000-02-15 US disclosed
EP-0950087-A1 COMPOSITIONS CONTAINING PERFUME QUEST INTERNATIONAL B.V. (NL) 1999-10-20 EP disclosed
EP-0950088-A1 PARTICLES CONTAINING ABSORBED LIQUIDS AND METHODS OF MAKING THEM QUEST INTERNATIONAL B.V. (NL) 1999-10-20 EP disclosed
WO-1999036470-A1 POLYSACCHARIDE CONJUGATES CAPABLE OF BINDING TO CELLULOSE QUEST INTERNATIONAL B.V. (NL) 1999-07-22 WO disclosed
EP-0930334-A1 Polysaccharide conjugate capable of binding cellulose QUEST INTERNATIONAL B.V. (NL) 1999-07-21 EP disclosed
WO-1998028398-A1 PARTICLES CONTAINING ABSORBED LIQUIDS AND METHODS OF MAKING THEM QUEST INTERNATIONAL B.V. (NL) 1998-07-02 WO disclosed
WO-1998028396-A1 COMPOSITIONS CONTAINING PERFUME QUEST INTERNATIONAL B.V. (NL) 1998-07-02 WO disclosed
EP-0826026-A1 PARTICLES CONTAINING PERFUME UNILEVER PLC (GB) 1998-03-04 EP disclosed
WO-1996021719-A1 PARTICLES CONTAINING PERFUME UNILEVER PLC (GB) 1996-07-18 WO disclosed
US-5518997-A ALDEHYDES, ESTERS, KETONES PROCTER AND GAMBLE CO. (US) 1996-05-21 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 (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-20090163733-A1 P-menthan-3-ol alkylated derivatives and their use as refreshing agents MSMO1, EP300, HAAO ESR1 2453/4885THRA 2911/4885THRB 3642/4885

“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.