SCHEMBL910954

SCHEMBL910954

C=CCOc1c[c]ccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA9 Q16790 5/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
PTPRC P08575 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL920685 0.81 KDM4E (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL920804 0.80 ALDH1A1 (0.45) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL920237 0.79 ALDH1A1 (0.41) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL919478 0.78 AOC3 (0.38)
SCHEMBL920385 0.78 AOC3 (0.38)
SCHEMBL919477 0.78 AOC3 (0.38)
SCHEMBL920386 0.78 AOC3 (0.38)
SCHEMBL920411 0.78 ALDH1A1 (0.40) MEN1KMT2ASMN1; SMN2HPGDTSHR
SCHEMBL3844869 0.77 MAPT (0.42) MEN1LMNAMAPTKMT2ASMN1; SMN2
Water SCHEMBL1169336 0.77 AOC3 (0.52) MEN1LMNAMAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107033139-B Heteroaryl piperidine and heteroaryl based piperazine derivative as fungicide 拜耳知识产权有限责任公司 2019-11-19 CN claimed
US-9975889-B2 Heteroaryl piperidine and heteroaryl piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-22 US claimed
US-9914728-B2 Heteroaryl piperidine and heteroaryl piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-03-13 US claimed
CN-107033139-A It is used as the heteroaryl piperidine and heteroaryl based piperazine derivative of fungicide 拜耳知识产权有限责任公司 2017-08-11 CN claimed
US-20170044154-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-16 US claimed
US-20170044153-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH 2017-02-16 US claimed
US-7041388-B1 Substituted poly(arylene vinylenes), process for their preparation and their use in electroluminescent devices SEMICONDUCTORS GMBH (DE) 2006-05-09 US claimed
EP-0831812-B1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH VERTEX PHARMA (US) 2005-12-07 EP claimed
CN-1170813-C N2 phenylamidine derivatives �ݶ�ũ�����޹�˾ 2004-10-13 CN claimed
US-6407100-B1 HORTICULTURE, AGRICULTURE, WOOD PRESERVATION BAYER AKTIENGESELLSCHAFT (DE) 2002-06-18 US claimed
US-5620971-A Biologically active acylated amino acid derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-04-15 US claimed
EP-0621864-B1 2-(2-BENZO(b)THIENYL)-3-METHOXYACRYLATE AND -2-IMINOACETATE DERIVATIVES TO BE USED AS PESTICIDES CIBA GEIGY AG (CH) 1996-12-27 EP claimed
WO-1996006072-A1 OXIME ETHERS AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1996-02-29 WO claimed
EP-0651737-A1 O-BENZYL OXIME ETHER DERIVATIVES AND THEIR USE AS PESTICIDES Novartis AG (CH) 1995-05-10 EP claimed
WO-1994026700-A1 O-BENZYL OXIME ETHER DERIVATIVES AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1994-11-24 WO claimed
EP-0621864-A1 2-(2-BENZO(b)THIENYL)-3-METHOXYACRYLATE AND -2-IMINOACETATE DERIVATIVES TO BE USED AS PESTICIDES. CIBA GEIGY AG (CH) 1994-11-02 EP claimed
EP-0584223-A1 NOVEL IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 1994-03-02 EP claimed
WO-1993008183-A1 2-(2-BENZO(b)THIENYL)-3-METHOXYACRYLATE AND -2-IMINOACETATE DERIVATIVES TO BE USED AS PESTICIDES CIBA-GEIGY AG (CH) 1993-04-29 WO claimed
WO-1992019593-A1 NOVEL IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 1992-11-12 WO claimed
US-3935250-A PESTICIDE CIBA-GEIGY CORPORATION (US) 1976-01-27 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-20170044154-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES PRXL2A, CYP1A1, CAT MEN1 2086/4885LMNA 2351/4885MAPT 3867/4885
US-20170044153-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES PRXL2A, CYP1A1, CAT MEN1 2086/4885LMNA 2351/4885MAPT 3867/4885

“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.