SCHEMBL235642

SCHEMBL235642

CC(CC(C)(C)C#N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.48
TAAR1 Q96RJ0 3/20 0.45
AOC3 Q16853 2/20 0.41
TRPA1 O75762 5/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CACNA1F O60840 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2B P18089 1/20 0.38
CHRM3 P20309 1/20 0.38
ADRA1A P35348 1/20 0.38

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
Diphenylether SCHEMBL9186513 0.90 MEN1 (0.41) RIPK1TAAR1AOC3KDM4EMEN1
SCHEMBL17627638 0.81 RIPK1 (0.65) RIPK1TAAR1AOC3TRPA1KDM4E
SCHEMBL10195095 0.80 RIPK1 (0.44) RIPK1TAAR1AOC3TRPA1KDM4E
SCHEMBL30203833 0.79 CTSS (0.35) RIPK1TRPA1KDM4EMEN1HTT
SCHEMBL28133086 0.78 RIPK1 (0.53) RIPK1TAAR1AOC3TRPA1KDM4E
SCHEMBL5664123 0.77 RIPK1 (0.63) RIPK1TAAR1AOC3TRPA1CACNA1F
SCHEMBL21322418 0.74 TAAR1 (0.56) RIPK1TAAR1AOC3TRPA1KDM4E
SCHEMBL20427677 0.74 RIPK1 (0.53) RIPK1TAAR1AOC3TRPA1KDM4E
SCHEMBL2418232 0.74 RIPK1 (0.53) RIPK1TAAR1AOC3TRPA1CACNA1F
SCHEMBL17123623 0.73 RIPK1 (0.41) RIPK1TAAR1TRPA1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4655373-A1 BIODEGRADABLE PERFUME COMPOSITION Givaudan SA (CH) 2025-12-03 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
EP-2555742-B2 ENCAPSULATES PROCTER & GAMBLE (US) 2018-12-05 EP claimed
WO-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
EP-2556139-B1 ENCAPSULATES PROCTER & GAMBLE (US) 2017-08-02 EP claimed
EP-2555742-B1 ENCAPSULATES PROCTER & GAMBLE (US) 2016-03-16 EP claimed
US-9023783-B2 Encapsulates THE PROCTER & GAMBLE COMPANY (US) 2015-05-05 US claimed
US-20140342969-A1 ENCAPSULATES PROCTER & GAMBLE (US) 2014-11-20 US claimed
US-8822402-B2 Encapsulates THE PROCTER & GAMBLE COMPANY (US) 2014-09-02 US claimed
US-8633148-B2 Encapsulates THE PROCTER & GAMBLE COMPANY (US) 2014-01-21 US claimed
EP-2556139-A1 ENCAPSULATES The Procter & Gamble Company (US) 2013-02-13 EP claimed
EP-2555742-A1 ENCAPSULATES The Procter & Gamble Company (US) 2013-02-13 EP claimed
WO-2011127011-A1 ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2011-10-13 WO claimed
WO-2011127030-A1 ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2011-10-13 WO claimed
US-20110245134-A1 ENCAPSULATES PROCTER & GAMBLE COMPANY, THE 2011-10-06 US claimed
US-20110245136-A1 ENCAPSULATES PROCTER & GAMBLE COMPANY, THE 2011-10-06 US claimed
US-12590264-B2 Profragrance conjugates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2026-03-31 US disclosed
US-5143899-A Process for preparing phenyl butyronitriles and perfumery use of 2,2-dimethyl-4-phenyl valeronitrile INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-09-01 US disclosed
US-5143899-A Process for preparing phenyl butyronitriles and perfumery use of 2,2-dimethyl-4-phenyl valeronitrile INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-09-01 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-12590264-B2 Profragrance conjugates TRPA1, TST, HSF1 RIPK1 4277/4885TAAR1 1058/4885AOC3 3483/4885

“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.