SCHEMBL885099

SCHEMBL885099

CCCc1ccc(C#N)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.67
TSHR P16473 1/20 0.63
HSD17B10 Q99714 1/20 0.63
LOXL2 Q9Y4K0 2/20 0.56
KCNJ1 P48048 1/20 0.53
KCNH2 Q12809 1/20 0.53
CYP19A1 P11511 3/20 0.51
ALDH1A1 P00352 2/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
LPL P06858 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
MGLL Q99685 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DAO P14920 2/20 0.43
HPGD P15428 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
SCHEMBL10568237 0.94 HSD17B10 (0.73) CYP2A6TSHRHSD17B10LOXL2KCNJ1
SCHEMBL2041798 0.94 TSHR (0.73) CYP2A6TSHRHSD17B10LOXL2KCNJ1
SCHEMBL10456965 0.94 TSHR (0.73) CYP2A6TSHRHSD17B10LOXL2KCNJ1
SCHEMBL9317548 0.92 TSHR (0.71) CYP2A6TSHRHSD17B10LOXL2KCNJ1
SCHEMBL10567320 0.92 HSD17B10 (0.77) CYP2A6TSHRHSD17B10LOXL2KCNJ1
SCHEMBL8379783 0.92 TSHR (0.71) CYP2A6TSHRHSD17B10LOXL2KCNJ1
SCHEMBL25188141 0.88 CYP2A6 (0.70) CYP2A6TSHRHSD17B10LOXL2KCNJ1
SCHEMBL921444 0.88 CYP2A6 (0.53) CYP2A6TSHRHSD17B10LOXL2KCNJ1
SCHEMBL7982533 0.87 CYP2A6 (0.52) CYP2A6TSHRHSD17B10LOXL2KCNJ1
SCHEMBL13311496 0.87 CYP2A6 (0.52) CYP2A6TSHRHSD17B10LOXL2KCNJ1

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 202 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
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
CN-115551828-A Perfume composition 西姆莱斯股份公司 2022-12-30 CN claimed
WO-2021228840-A1 A FRAGRANCE COMPOSITION SYMRISE AG (DE) 2021-11-18 WO claimed
WO-2021228352-A1 A FRAGRANCE COMPOSITION SYMRISE AG (DE) 2021-11-18 WO claimed
EP-2770005-B1 EPOXY RESIN COMPOSITION AND HIGH FREQUENCY ELECTRONIC-CIRCUIT SUBSTRATE MANUFACTURED BY USING THE SAME GUANGDONG SHENGYI SCI TECH CO (CN) 2019-05-08 EP claimed
EP-2770005-A1 EPOXY RESIN COMPOSITION AND HIGH FREQUENCY ELECTRONIC-CIRCUIT SUBSTRATE MANUFACTURED BY USING THE SAME Guangdong Shengyi Sci. Tech Co., Ltd (CN) 2014-08-27 EP claimed
US-8148537-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-04-03 US claimed
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP claimed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US claimed
CN-101611005-A Be used as the acetophenones of the replacement of PDE4 inhibitor LEO PHARMA AS (DK) 2009-12-23 CN claimed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP claimed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO claimed
US-12534685-B2 Fragrance composition SYMRISE AG (DE) 2026-01-27 US disclosed
EP-3752497-B1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS INC (US) 2024-07-17 EP disclosed
CN-118251440-A Copolymers derived from dicyclopentadiene 高新特殊工程塑料全球技术有限公司 2024-06-25 CN disclosed
US-4172782-A ORGANIC QUATERNARY AMMONIUM SALT USED IN ALKULATION OF BENZYLNITRILE WITH AN ORGANIC HALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-10-30 US disclosed
US-4043634-A Liquid crystal electro optical element DAI NIPPON TORYO CO., LTD. (JA) 1977-08-23 US disclosed
US-3977768-A Nematic liquid crystal compositions DAI NIPPON TORYO KAUBSHIKI KAISHA (JA) 1976-08-31 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 (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 3094/4885TSHR 3358/4885HSD17B10 1185/4885
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B CYP2A6 117/4885TSHR 2409/4885HSD17B10 131/4885
US-20230159854-A1 A FRAGRANCE COMPOSITION NISCH, NOS1, COXFA4 CYP2A6 1637/4885TSHR 4764/4885HSD17B10 790/4885

“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.