SCHEMBL91062

SCHEMBL91062

CCc1ccc(C#N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 1.00
LOXL2 Q9Y4K0 2/20 0.60
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TSHR P16473 2/20 0.52
HDAC8 Q9BY41 1/20 0.48
MAOB P27338 5/20 0.47
MAOA P21397 4/20 0.47
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
CYP19A1 P11511 1/20 0.47
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
IDO1 P14902 2/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL4651866 0.93 CYP2A6 (0.86) CYP2A6LOXL2ALDH1A1HSD17B10TSHR
SCHEMBL7666462 0.93 CYP2A6 (0.86) CYP2A6LOXL2ALDH1A1HSD17B10TSHR
SCHEMBL10243323 0.93 CYP2A6 (0.86) CYP2A6LOXL2ALDH1A1HSD17B10TSHR
SCHEMBL10571506 0.89 CYP2A6 (0.79) CYP2A6LOXL2ALDH1A1HSD17B10TSHR
Cyclohexane SCHEMBL27471978 0.87 CYP2A6 (0.76) CYP2A6LOXL2HSD17B10TSHRKCNJ1
SCHEMBL15604704 0.87 CYP2A6 (0.76) CYP2A6LOXL2HSD17B10TSHRMAOB
SCHEMBL10571635 0.87 CYP2A6 (0.76) CYP2A6LOXL2ALDH1A1HSD17B10TSHR
SCHEMBL15389530 0.85 CYP2A6 (0.73) CYP2A6LOXL2ALDH1A1HSD17B10TSHR
SCHEMBL25188141 0.84 CYP2A6 (0.70) CYP2A6LOXL2ALDH1A1HSD17B10TSHR
SCHEMBL14163886 0.84 CYP2A6 (0.70) CYP2A6MAOBMAOA

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 1314 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12534685-B2 Fragrance composition SYMRISE AG (DE) 2026-01-27 US claimed
CN-119080623-A Application of catalyst in preparation of primary amine by catalyzing nitrile compound hydrogenation 嘉庚创新实验室 2024-12-06 CN claimed
CN-116535279-B Continuous and intermittent method for carbon nitride photoactivation molecular oxygen solvent-free oxidation of aromatic C-H bond 大连理工大学 2024-11-26 CN claimed
CN-117586525-A Metal organic framework material based on tetraphenylethane tetracarboxylic acid, and preparation method and application thereof 江苏师范大学 2024-02-23 CN claimed
CN-116606435-A Preparation method of modified cyanate resin and modified cyanate resin 深圳光启高端装备技术研发有限公司 2023-08-18 CN claimed
CN-113024530-B Isatin-1, 2, 4-oxadiazole compound and preparation method and application thereof 合肥工业大学 2023-07-18 CN claimed
US-20230159854-A1 A FRAGRANCE COMPOSITION SYMRISE AG (DE) 2023-05-25 US claimed
EP-4149919-A1 A FRAGRANCE COMPOSITION Symrise AG (DE) 2023-03-22 EP claimed
WO-2023283974-A1 DEUTERATED AMMONIA PREPARATION METHOD AND DEUTERATION REACTION INVOLVING SAME AS DEUTERIUM SOURCE 苏州大学 2023-01-19 WO claimed
CN-115551828-A Perfume composition 西姆莱斯股份公司 2022-12-30 CN claimed
CN-101193898-A Novel 5,7-disubstituted [1,3]thiazolo[4,5-d]pyrimidin-2(3H)-one derivatives ASTRAZENECA AB (SE) 2008-06-04 CN claimed
CN-101193897-A Novel 5-substituted 7-amino-[1,3]thiazolo[4,5-d]pyrimidine derivatives ASTRAZENECA AB (SE) 2008-06-04 CN claimed
WO-2008033572-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2008-03-20 WO claimed
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2007-06-28 US claimed
WO-2004022542-A2 SUBSTITUTED 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES Grünenthal GmbH (DE) 2004-03-18 WO claimed
US-6464902-B1 CONDENSATION OF AT LEAST TWO PERYLENE MONOIMIDE-MONOANHYDRIDES WITH 1,3-PROPANEDIAMINE FORM THE IMIDES; PHOTOCONDUCTIVE IMAGING MEMBERS WITH THE MIXED PERYLENE DIMER PIGMENTS; ENVIRONMENTALLY ACCEPTABLE MIXTURES XEROX CORPORATION 2002-10-15 US claimed
EP-0861878-B1 Unsymmetrical perylene dimers XEROX CORP (US) 2001-10-24 EP claimed
US-6287738-B1 CONTAINING PERYLENEBISIMIDE XEROX CORPORATION 2001-09-11 US claimed
EP-0861878-A1 Unsymmetrical perylene dimers XEROX CORPORATION (US) 1998-09-02 EP claimed
US-5683842-A CHARGE GENERATORS FOR IMAGES XEROX CORPORATION (US) 1997-11-04 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 (3 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-12534685-B2 Fragrance composition NCLN, HCN2, TRPA1 CYP2A6 3094/4885LOXL2 3382/4885ALDH1A1 1363/4885
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days CYP3A43, CYP3A4, CYP2F1 CYP2A6 35/4885LOXL2 3123/4885ALDH1A1 559/4885
US-20230159854-A1 A FRAGRANCE COMPOSITION NISCH, NOS1, COXFA4 CYP2A6 1637/4885LOXL2 1806/4885ALDH1A1 438/4885

“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.