SCHEMBL21766568

SCHEMBL21766568

CCC(C)S(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
SLC6A2 P23975 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
MAOA P21397 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 1/20 0.37
CYP2A6 P11509 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CCR5 P51681 1/20 0.36
TRPA1 O75762 1/20 0.35
HTR2A P28223 1/20 0.35
TSHR P16473 1/20 0.34
CYP2D6 P10635 1/20 0.34
HSD11B1 P28845 1/20 0.34
LARS1 Q9P2J5 1/20 0.34
TP53 P04637 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
SCHEMBL21241569 0.79 PSIP1 (0.44) PSIP1SMN1; SMN2LMNACCR5TRPA1
SCHEMBL2446838 0.76 PSIP1 (0.52) PSIP1SMN1; SMN2CCR5HSD11B1LARS1
SCHEMBL20653675 0.75 HTR6 (0.39) PSIP1SMN1; SMN2TSHR
SCHEMBL21186443 0.75 ALDH1A1 (0.51) SMN1; SMN2SLC6A2TAAR1MAOASLC6A4
SCHEMBL12486241 0.72 PSIP1 (0.48) PSIP1SMN1; SMN2CCR5TSHRHSD11B1
SCHEMBL21186440 0.70 PSIP1 (0.44) PSIP1SMN1; SMN2LMNACCR5TRPA1
SCHEMBL26757076 0.70 TAAR1 (0.38) TAAR1LMNATRPA1TSHRCYP2D6
Biphenyl SCHEMBL11503380 0.67 ALDH1A1 (0.53) SMN1; SMN2TAAR1SLC6A4SIGMAR1LMNA
SCHEMBL19779348 0.67 CYP2C19 (0.38) PSIP1TAAR1LMNACCR5HTR2A
SCHEMBL21186470 0.67 LARS1 (0.44) PSIP1SMN1; SMN2SLC6A2TAAR1MAOA

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 PSIP1 3434/4885SMN1; SMN2 4780/4885SLC6A2 2490/4885
US-20220144769-A1 COMPOUND CBR3, SFXN3, CBR1 PSIP1 1545/4885SMN1; SMN2 1987/4885SLC6A2 2795/4885
US-11466026-B2 Organic electroluminescent materials and devices OCIAD1, OCIAD2, SLCO4C1 PSIP1 2146/4885SMN1; SMN2 3530/4885SLC6A2 181/4885
US-20220407026-A1 ORGANIC ELECTROLUMINESCENT DEVICE L1CAM, EPCAM, EML4 PSIP1 575/4885SMN1; SMN2 3005/4885SLC6A2 2028/4885
US-20230102728-A1 METHOD OF PREPARING SILANOLS WITH SELECTIVE CYTOCHROME P450 VARIANTS AND RELATED COMPOUNDS AND COMPOSITIONS CYP2E1, POR, CYP3A43 PSIP1 2771/4885SMN1; SMN2 2176/4885SLC6A2 2213/4885
US-10005813-B2 Methods for the purification of deoxycholic acid HSD11B1, HSD17B7, HSD17B13 PSIP1 3434/4885SMN1; SMN2 4780/4885SLC6A2 2490/4885
US-20170320905-A1 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID HSD11B1, HSD17B7, HSD17B13 PSIP1 3434/4885SMN1; SMN2 4780/4885SLC6A2 2490/4885
US-11437591-B2 Organic electroluminescent materials and devices OCIAD2, EML4, KCNJ2 PSIP1 1105/4885SMN1; SMN2 4521/4885SLC6A2 697/4885
US-20180186819-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME OXER1, OCIAD1, OXA1L PSIP1 1583/4885SMN1; SMN2 2595/4885SLC6A2 3429/4885
US-20210332064-A1 ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CANCER PGK1, PHKG1, NEK1 PSIP1 2878/4885SMN1; SMN2 3843/4885SLC6A2 4416/4885

“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.