SCHEMBL482463

SCHEMBL482463

C=CCOc1[c]cccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTPRC P08575 1/20 0.38
LIG1 P18858 1/20 0.37
CYP3A4 P08684 1/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA9 Q16790 3/20 0.35
ALDH1A1 P00352 3/20 0.34
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SLC22A1 O15245 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADRB2 P07550 1/20 0.33

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
SCHEMBL9222655 0.83 CA12 (0.41) MAPK1CA12CA1CA9ALDH1A1
SCHEMBL6196145 0.81 KDM4E (0.41) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL525712 0.80
SCHEMBL767167 0.80 CTSS (0.36) HPGDALDH1A1
SCHEMBL28613802 0.79 ALDH1A1 (0.39) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL10397205 0.77 AOC3 (0.32)
SCHEMBL27495269 0.77 AOC3 (0.32)
SCHEMBL11171654 0.77 AOC3 (0.32)
SCHEMBL10397204 0.77 AOC3 (0.32)
SCHEMBL3840978 0.77 HPGD (0.38) HPGDTSHRMAPK1HSD17B10PTPRC

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 1048 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112675908-A Aerobic oxidation method of alcohols 清华大学 2021-04-20 CN claimed
CN-112494484-A Application of chiral tetraaryl substituted methane 香港科技大学深圳研究院 2021-03-16 CN claimed
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-9457347-B2 Olefin metathesis catalysts BERGEN TEKNOLOGIOVERFORING AS (NO) 2016-10-04 US claimed
CN-102781937-B As two (difluoromethyl) pyrazoles of sterilant BAYER CROPSCIENCE AG (DE) 2015-09-30 CN claimed
EP-0007605-B1 A PROCESS FOR INVERTING THE CONFIGURATION IN OPTICALLY ACTIVE COMPOUNDS AND OPTICALLY ACTIVE INTERMEDIATE COMPOUNDS AND THEIR SALTS REQUIRED THEREFOR CIBA-GEIGY AG (CH) 1982-09-15 EP claimed
EP-0048887-A1 Liquid crystal composition containing a pleochroic anthraquinone dye MERCK PATENT GmbH (DE) 1982-04-07 EP claimed
EP-0034116-A2 N-(3-phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1981-08-19 EP claimed
EP-0007605-A1 A process for inverting the configuration in optically active compounds and optically active intermediate compounds and their salts required therefor CIBA-GEIGY AG (CH) 1980-02-06 EP claimed
US-4182911-A BETA-ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-01-08 US claimed
US-4144340-A ADRENERGIC BLOCKING AGENTS DEUTSCHE GOLD UND SILBER- SCHEIDEANSTALT VORMALS ROESSLER (DE) 1979-03-13 US claimed
US-4113876-A INSECTICIDES, FUNGICIDES, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 US claimed
US-3969363-A CARDIOVASCULAR DISORDERS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-07-13 US claimed
US-3954836-A INSECTICIDES, ACARICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-05-04 US 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 HPGD 1872/4885TSHR 3091/4885MAPK1 2081/4885
US-20170044153-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES PRXL2A, CYP1A1, CAT HPGD 1872/4885TSHR 3091/4885MAPK1 2081/4885

“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.