SCHEMBL20344806

SCHEMBL20344806

CS(Cl)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HTR6 P50406 1/20 0.43
PSIP1 O75475 1/20 0.42
TSHR P16473 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
PLA2G7 Q13093 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL20713894 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1HTR6PSIP1
SCHEMBL19153883 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1HTR6PSIP1
Fluoride SCHEMBL943952 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10TDP1HTR6PSIP1
Methylphenylsulfone SCHEMBL1925243 0.75 ALDH1A1 (0.59) ALDH1A1HSD17B10TDP1HTR6PSIP1
SCHEMBL1859763 0.75 ALDH1A1 (0.84) ALDH1A1HSD17B10TDP1HTR6PSIP1
SCHEMBL3282928 0.73 ALDH1A1 (0.58) ALDH1A1HSD17B10TDP1HTR6PSIP1
SCHEMBL1157992 0.73 HSD17B10 (0.58) ALDH1A1HSD17B10TDP1HTR6PSIP1
SCHEMBL1157883 0.73 ALDH1A1 (0.58) ALDH1A1HSD17B10TDP1HTR6PSIP1
SCHEMBL5607138 0.73 HTR6 (0.47) ALDH1A1HSD17B10TDP1HTR6PSIP1
SCHEMBL2937203 0.73 HTR6 (0.47) ALDH1A1HSD17B10TDP1HTR6PSIP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102728-A1 METHOD OF PREPARING SILANOLS WITH SELECTIVE CYTOCHROME P450 VARIANTS AND RELATED COMPOUNDS AND COMPOSITIONS CALIFORNIA INSTITUTE OF TECHNOLOGY 2023-03-30 US disclosed
WO-2023277824-A2 DIVERSE FUNCTIONALIZATION OF HYDROSILANES AND PROGRAMMABLE SYNTHESIS OF MULTISUBSTITUTED ORGANOSILANES ENABLED BY NEUTRAL EOSIN Y PHOTOCATALYSIS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-01-05 WO disclosed
US-20220407026-A1 ORGANIC ELECTROLUMINESCENT DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-12-22 US disclosed
US-11466026-B2 Organic electroluminescent materials and devices Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-10-11 US disclosed
US-11437591-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2022-09-06 US disclosed
US-20220195120-A1 POLYVINYL THIOETHER ESTER, PREPARATION METHOD THEREFOR AND USE THEREOF. SOOCHOW UNIVERSITY (CN) 2022-06-23 US disclosed
US-20220144769-A1 COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-05-12 US disclosed
US-20220118753-A1 ON-PRESS DEVELOPMENT TYPE LITHOGRAPHIC PRINTING PLATE PRECURSOR, METHOD FOR PREPARING LITHOGRAPHIC PRINTING PLATE, AND LITHOGRAPHIC PRINTING METHOD FUJIFILM CORPORATION (JP) 2022-04-21 US disclosed
WO-2022004290-A1 CHEMICALLY AMPLIFIED PHOTOSENSITIVE COMPOSITION, PHOTOSENSITIVE DRY FILM, METHOD FOR MANUFACTURING PLATING MOLD-ATTACHED SUBSTRATE, AND METHOD FOR MANUFACTURING PLATED OBJECT 東京応化工業株式会社 2022-01-06 WO disclosed
US-20210332064-A1 ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2021-10-28 US disclosed
US-20190135855-A1 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID KYTHERA BIOPHARMACEUTICALS, INC. (US) 2019-05-09 US disclosed
WO-2019013814-A1 3-D PRINTING HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2019-01-17 WO disclosed
EP-3421454-A1 PIPERIDINE DERIVATIVE Otsuka Pharmaceutical Co., Ltd. (JP) 2019-01-02 EP disclosed
EP-3187554-B1 CONDENSATION CURABLE RESIN COMPOSITION AND SEMICONDUCTOR PACKAGE SHINETSU CHEMICAL CO (JP) 2018-07-25 EP disclosed
US-20180186819-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2018-07-05 US disclosed
EP-3214152-B1 SILICON-BASED EMITTER COMPOUND CYNORA GMBH (DE) 2018-07-04 EP disclosed
US-10005813-B2 Methods for the purification of deoxycholic acid KYTHERA BIOPHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-9923150-B2 Organic electroluminescent compound and organic photoelectric apparatus thereof Shanghai Tianma AM-OLED Co., Ltd. (CN) 2018-03-20 US disclosed
EP-3070144-B1 SEVEN-MEMBERED RING COMPOUNDS IDEMITSU KOSAN CO (JP) 2018-02-28 EP disclosed
US-20170320905-A1 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID KYTHERA BIOPHARMACEUTICALS, INC. (US) 2017-11-09 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 (10 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-20190135855-A1 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID HSD11B1, HSD17B7, HSD17B13 ALDH1A1 3317/4885HSD17B10 40/4885TDP1 3528/4885
US-20220144769-A1 COMPOUND CBR3, SFXN3, CBR1 ALDH1A1 928/4885HSD17B10 565/4885TDP1 4431/4885
US-11466026-B2 Organic electroluminescent materials and devices OCIAD1, OCIAD2, SLCO4C1 ALDH1A1 1580/4885HSD17B10 579/4885TDP1 2179/4885
US-20220407026-A1 ORGANIC ELECTROLUMINESCENT DEVICE L1CAM, EPCAM, EML4 ALDH1A1 1342/4885HSD17B10 4009/4885TDP1 2742/4885
US-20230102728-A1 METHOD OF PREPARING SILANOLS WITH SELECTIVE CYTOCHROME P450 VARIANTS AND RELATED COMPOUNDS AND COMPOSITIONS CYP2E1, POR, CYP3A43 ALDH1A1 367/4885HSD17B10 111/4885TDP1 2684/4885
US-10005813-B2 Methods for the purification of deoxycholic acid HSD11B1, HSD17B7, HSD17B13 ALDH1A1 3317/4885HSD17B10 40/4885TDP1 3528/4885
US-20170320905-A1 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID HSD11B1, HSD17B7, HSD17B13 ALDH1A1 3317/4885HSD17B10 40/4885TDP1 3528/4885
US-11437591-B2 Organic electroluminescent materials and devices OCIAD2, EML4, KCNJ2 ALDH1A1 534/4885HSD17B10 3691/4885TDP1 2070/4885
US-20180186819-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME OXER1, OCIAD1, OXA1L ALDH1A1 13/4885HSD17B10 1679/4885TDP1 1052/4885
US-20210332064-A1 ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CANCER PGK1, PHKG1, NEK1 ALDH1A1 3038/4885HSD17B10 1506/4885TDP1 1050/4885

“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.