SCHEMBL598168

SCHEMBL598168

Oc1c(-c2ccc3ccccc3c2)cccc1-c1ccc2ccccc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.72
HDAC2 Q92769 1/20 0.72
HDAC8 Q9BY41 1/20 0.72
HSD17B1 P14061 2/20 0.59
HSD17B2 P37059 2/20 0.59
ESR2 Q92731 6/20 0.57
ESR1 P03372 5/20 0.57
GSTP1 P09211 1/20 0.57
ALOX5 P09917 1/20 0.55
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CYP1A2 P05177 3/20 0.48
ERN1 O75460 1/20 0.46
MIF P14174 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL30335758 1.00 HDAC4 (0.72) HDAC4HDAC2HDAC8HSD17B1HSD17B2
SCHEMBL28061095 0.94 HDAC4 (0.66) HDAC4HDAC2HDAC8HSD17B1HSD17B2
SCHEMBL19211556 0.90 HDAC4 (0.66) HDAC4HDAC2HDAC8HSD17B1HSD17B2
SCHEMBL20531408 0.87 HDAC4 (0.62) HDAC4HDAC2HDAC8HSD17B1HSD17B2
SCHEMBL10934707 0.85 HDAC4 (0.60) HDAC4HDAC2HDAC8HSD17B1HSD17B2
SCHEMBL17500108 0.85 ESR2 (0.61) HDAC4HDAC2HDAC8HSD17B1HSD17B2
SCHEMBL14327755 0.85 HDAC4 (0.55) HDAC4HDAC2HDAC8HSD17B1HSD17B2
SCHEMBL26502525 0.84 HDAC4 (0.63) HDAC4HDAC2HDAC8HSD17B1HSD17B2
SCHEMBL30491158 0.84 GSTP1 (0.70) HDAC4HDAC2HDAC8HSD17B1HSD17B2
SCHEMBL28508645 0.84 GSTP1 (0.70) HDAC4HDAC2HDAC8HSD17B1HSD17B2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461504-B Method for preparing macrocyclic ketone from epoxide 中国天辰工程有限公司 2023-04-21 CN disclosed
CN-105142605-B 1, 2-alkane polyol-containing composition 大阪有机化学工业株式会社 2018-06-08 CN disclosed
EP-2251316-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID TOKYO UNIV OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2018-02-21 EP disclosed
US-9795549-B2 1,2-alkane polyol-containing composition OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2017-10-24 US disclosed
US-20160045414-A1 1,2-ALKANE POLYOL-CONTAINING COMPOSITION OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2016-02-18 US disclosed
EP-2985017-A1 1,2-ALKANE POLYOL-CONTAINING COMPOSITION Osaka Organic Chemical Ind., Ltd. (JP) 2016-02-17 EP disclosed
CN-105142605-A 1, 2-alkane polyol-containing composition OSAKA ORGANIC CHEM IND 2015-12-09 CN disclosed
US-8115008-B2 Method for producing optically active ester and method for producing optically active carboxylic acid TOKYO UNIVERSITY OF SCIENCE EDUCATION FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2012-02-14 US disclosed
EP-2251316-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID Tokyo University Of Science Educational Foundation Administrative Organization (JP) 2010-11-17 EP disclosed
US-20100234610-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2010-09-16 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-20100234610-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ACADM, ADH5, ALDH7A1 HDAC4 1041/4885HDAC2 2928/4885HDAC8 642/4885

“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.