SCHEMBL113550

SCHEMBL113550

COc1ccc(CC(C)C=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.58
TP53 P04637 2/20 0.58
TSHR P16473 2/20 0.58
LDHA P00338 1/20 0.55
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
IDO1 P14902 1/20 0.45
CYP2A6 P11509 1/20 0.45
HTT P42858 1/20 0.45
ACACB O00763 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9900714 1.00 SLC6A4 (0.58) SLC6A4TP53TSHRLDHACYP1A2
SCHEMBL8283115 1.00 SLC6A4 (0.58) SLC6A4TP53TSHRLDHACYP1A2
SCHEMBL30290019 1.00 SLC6A4 (0.58) SLC6A4TP53TSHRLDHACYP1A2
SCHEMBL11341494 0.83 TP53 (0.56) TP53TSHRCYP1A2CYP2D6CYP2C19
3,4-Dimethoxybenzaldehyde SCHEMBL28654147 0.83 ALDH1A1 (0.58) TSHRCYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL8693997 0.82 LDHA (0.56) SLC6A4TP53TSHRLDHACYP1A2
SCHEMBL9519382 0.82 SLC6A4 (0.51) SLC6A4TP53TSHRLDHACYP1A2
SCHEMBL3017223 0.81 TP53 (0.54) TP53TSHRACACB
SCHEMBL23212331 0.81 TSHR (0.58) SLC6A4TP53TSHRLDHA
SCHEMBL11557280 0.81 TP53 (0.44) SLC6A4TP53TSHRALDH1A1

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

Appears in 3145 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600926-B2 Treatment compositions with modified amino acid dimers for delivering a benefit agent THE PROCTER & GAMBLE COMPANY (US) 2026-04-14 US claimed
US-12559703-B2 Fragrance composition GIVAUDAN SA (CH) 2026-02-24 US claimed
US-20260000592-A1 TREATMENT COMPOSITIONS WITH ESTERAMINES OR SALTS THEREOF PROCTER & GAMBLE (US) 2026-01-01 US claimed
US-12509643-B2 Pro-benefit-agent compounds with carbon/nitrogen bonds THE PROCTER & GAMBLE COMPANY (US) 2025-12-30 US claimed
US-20250325463-A1 COMPOSITIONS (III) SYMRISE AG (DE) 2025-10-23 US claimed
US-20250319006-A1 ETHYL 2-CYCLOOCTYLACETATE AS A FRAGRANCE SYMRISE AG (DE) 2025-10-16 US claimed
US-20250302678-A1 ABSORBENT ARTICLES INCLUDING PERFUME AND CYCLODEXTRINS PROCTER & GAMBLE (US) 2025-10-02 US claimed
US-20250302728-A1 FRAGRANCE COMPOSITIONS AND PRODUCTS CONVEYING A POSITIVE MOOD SYMRISE AG (DE) 2025-10-02 US claimed
WO-2025202258-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2025-10-02 WO claimed
EP-4608360-A1 ANTI-DANDRUFF COMPOSITIONS Firmenich SA (CH) 2025-09-03 EP claimed
EP-1567122-A2 FUNCTIONAL FRAGRANCE PRECURSOR Colgate-Palmolive Company (US) 2005-08-31 EP claimed
EP-1552814-A1 FRAGRANCE COMPOSITION Kao Corporation (JP) 2005-07-13 EP claimed
US-20050026998-A1 Compounds for the controlled release of active aldehydes FIRMENICH SA (CH) 2005-02-03 US claimed
US-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 US claimed
EP-1487815-A1 COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE ALDEHYDES FIRMENICH SA (CH) 2004-12-22 EP claimed
WO-2004047788-A2 FUNCTIONAL FRAGRANCE PRECURSOR COLGATE-PALMOLIVE COMPANY (US) 2004-06-10 WO claimed
US-20040102357-A1 For sustained release; fabric softeners, hair conditioners, skin conditioners COLGATE-PALMOLIVE COMPANY 2004-05-27 US claimed
WO-2003082850-A1 COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE ALDEHYDES FIRMENICH SA (CH) 2003-10-09 WO claimed
US-5726345-A Process for perfuming textiles FIRMENICH S.A. (CH) 1998-03-10 US claimed
US-5649979-A LAUNDERING IN PRESENCE OF ESTER COMPOUND WHICH RELEASES FRAGRANT ALCOHOL, ALDEHYDE OR KETONE FIRMENICH S.A. (CH) 1997-07-22 US claimed