SCHEMBL112940

SCHEMBL112940

CC(C=O)Cc1ccc2c(c1)OCO2

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.67
TAAR1 Q96RJ0 3/20 0.64
SLC6A4 P31645 3/20 0.64
SLC6A2 P23975 2/20 0.64
SLC6A3 Q01959 2/20 0.64
CYP2D6 P10635 2/20 0.60
CYP3A4 P08684 4/20 0.55
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 2/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.50
ATM Q13315 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL29353865 1.00 NPSR1 (0.67) NPSR1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL29619783 1.00 NPSR1 (0.67) NPSR1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL2800872 1.00 NPSR1 (0.67) NPSR1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL13074977 1.00 NPSR1 (0.67) NPSR1TAAR1SLC6A4SLC6A2SLC6A3
Cyclohexene SCHEMBL21192507 0.92 NPSR1 (0.58) NPSR1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL8213676 0.88 NPSR1 (0.54) NPSR1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL28460858 0.84 NPSR1 (0.56) NPSR1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL6341532 0.84 NPSR1 (0.50) NPSR1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL2168560 0.83 NPSR1 (0.61) NPSR1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL2168564 0.83 NPSR1 (0.61) NPSR1TAAR1SLC6A4SLC6A2SLC6A3

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 5796 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4711010-A2 PRO-PERFUME COMPOSITIONS Firmenich SA (CH) 2026-03-18 EP claimed
US-12559703-B2 Fragrance composition GIVAUDAN SA (CH) 2026-02-24 US claimed
EP-4655373-A1 BIODEGRADABLE PERFUME COMPOSITION Givaudan SA (CH) 2025-12-03 EP claimed
EP-4637702-A1 FRAGRANCE COMPOSITIONS AND USES THEREOF Coty Inc. (US) 2025-10-29 EP claimed
US-20250325463-A1 COMPOSITIONS (III) SYMRISE AG (DE) 2025-10-23 US claimed
US-20250302728-A1 FRAGRANCE COMPOSITIONS AND PRODUCTS CONVEYING A POSITIVE MOOD SYMRISE AG (DE) 2025-10-02 US claimed
US-20250295826-A1 FRAGRANCES AS UREASE INHIBITORS SYMRISE AG (DE) 2025-09-25 US claimed
US-20250280857-A1 DEGRADATION-RESISTANT ALDEHYDE-CONTAINING COMPOSITIONS ZOOMESSENCE INC (US) 2025-09-11 US claimed
US-12398341-B2 Apparatus and compositions for improving scent delivery THE PROCTER & GAMBLE COMPANY (US) 2025-08-26 US claimed
EP-4602141-A1 A FRAGRANCE MIXTURE (VI) Symrise AG (DE) 2025-08-20 EP claimed
EP-0980863-A1 Oxime carboxylic acid derivatives Givaudan Roure (International) S.A. (CH) 2000-02-23 EP claimed
WO-2000001358-A1 METHOD OF REDUCING OR PREVENTING MALODOUR QUEST INTERNATIONAL B.V. (NL) 2000-01-13 WO claimed
WO-2000001356-A1 METHOD OF REDUCING OR PREVENTING MALODOUR QUEST INTERNATIONAL B.V. (NL) 2000-01-13 WO claimed
EP-0878497-A2 Fragrance precursor compounds GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-11-18 EP claimed
US-5795566-A Deodorant compositions containing at least two aldehydes and the deodorant products containing them ROBERTET S.A. (FR) 1998-08-18 US 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
US-5445747-A Containing fabric softener, perfume selected to cover odors THE PROCTER & GAMBLE COMPANY (US) 1995-08-29 US claimed
EP-0477747-B1 Process for the preparation of an odorant HOECHST AG (DE) 1994-02-09 EP claimed
EP-0477747-A1 Process for the preparation of an odorant HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-01 EP claimed