SCHEMBL971292

SCHEMBL971292

CCc1ccc(CC(C)(C)C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
ESR1 P03372 4/20 0.43
ESR2 Q92731 3/20 0.43
TP53 P04637 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
BRCA1 P38398 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL10916780 0.91 ESR1 (0.48) CYP2A6ESR1ESR2TAAR1CYP1A2
SCHEMBL10915580 0.84 ESR1 (0.44) CYP2A6ESR1ESR2TAAR1HSD17B10
SCHEMBL2439497 0.83 ESR1 (0.52) ESR1ESR2TP53HPGDALDH1A1
SCHEMBL2439798 0.83 ESR1 (0.43) CYP2A6ESR1ESR2TAAR1HPGD
SCHEMBL3160096 0.81 ESR1 (0.42) ESR1ESR2TAAR1HPGDALDH1A1
SCHEMBL2823833 0.81 SLC6A4 (0.55) ESR1ESR2TAAR1ALDH1A1KDM4E
SCHEMBL5784144 0.80 SLC6A2 (0.52) ESR1ESR2TP53TAAR1ALDH1A1
SCHEMBL14268192 0.78 ALDH1A1 (0.42) ESR1ESR2TP53ALDH1A1KMT2A
SCHEMBL13938788 0.77 NPC1 (0.40) ESR1ESR2HPGDALDH1A1ALOX15
SCHEMBL10914831 0.77 HRH3 (0.38) CYP2A6ESR1ESR2KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695016-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2026-02-18 EP claimed
EP-4655373-A1 BIODEGRADABLE PERFUME COMPOSITION Givaudan SA (CH) 2025-12-03 EP claimed
WO-2024213507-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-10-17 WO claimed
EP-4446001-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2024-10-16 EP claimed
WO-2024156688-A1 BIODEGRADABLE PERFUME COMPOSITION GIVAUDAN SA (CH) 2024-08-02 WO claimed
EP-4407019-A1 BIODEGRADABLE PERFUME COMPOSITION Givaudan SA (CH) 2024-07-31 EP claimed
WO-2023160791-A1 COMBINATIONS OF 2-METHYL-2-OCTANOL WITH PLEASANT SMELLING COMPOUNDS SYMRISE AG (DE) 2023-08-31 WO claimed
US-20190155975-A9 Antiperspirant and Deodorant Compositions Comprising Malodor Reduction Compositions THE PROCTER & GAMBLE COMPANY 2019-05-23 US claimed
EP-3469055-A1 CLEANING COMPOSITIONS INCLUDING NUCLEASE ENZYME AND MALODOR REDUCTION MATERIALS The Procter & Gamble Company (US) 2019-04-17 EP claimed
US-10240108-B2 Particles for malodor reduction THE PROCTER & GAMBLE COMPANY (US) 2019-03-26 US claimed
EP-2931854-A1 FRAGRANCE MATERIALS The Procter & Gamble Company (US) 2015-10-21 EP claimed
CN-104902869-A Personal care compositions PROCTER & GAMBLE 2015-09-09 CN claimed
CN-104837973-A Fragrance materials PROCTER & GAMBLE 2015-08-12 CN claimed
US-20140179722-A1 Antiperspirant and Deodorant Compositions THE PROCTER & GAMBLE COMPANY (US) 2014-06-26 US claimed
US-20140170101-A1 Antiperspirant and Deodorant Compositions THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 US claimed
US-20140170194-A1 FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 US claimed
WO-2014093819-A2 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 WO claimed
WO-2014093807-A1 FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 WO claimed
WO-2014093747-A2 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 WO claimed
US-20110020251-A1 Ultraviolet-Absorbing Compounds AVOCA LLC 2011-01-27 US 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 (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-20140170101-A1 Antiperspirant and Deodorant Compositions LPO, GPX4, DEK CYP2A6 842/4885ESR1 2876/4885ESR2 3461/4885
US-20110020251-A1 Ultraviolet-Absorbing Compounds UFM1, UHRF1, CUTA CYP2A6 1512/4885ESR1 807/4885ESR2 1531/4885

“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.