SCHEMBL21241569

SCHEMBL21241569

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.44
LMNA P02545 1/20 0.38
CCR5 P51681 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HSD11B1 P28845 1/20 0.35
TP53 P04637 1/20 0.35
HTR6 P50406 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
MMP1 P03956 3/20 0.33
MMP7 P09237 3/20 0.33
MMP12 P39900 3/20 0.33
MMP13 P45452 3/20 0.33
ACE P12821 2/20 0.33
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32

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
SCHEMBL21186440 0.81 PSIP1 (0.44) PSIP1LMNACCR5SMN1; SMN2HSD11B1
SCHEMBL21766568 0.79 PSIP1 (0.43) PSIP1LMNACCR5SMN1; SMN2HSD11B1
SCHEMBL2443658 0.74 PSIP1 (0.54) PSIP1CCR5SMN1; SMN2HSD11B1HTR6
SCHEMBL20653675 0.72 HTR6 (0.39) PSIP1SMN1; SMN2HTR6TDP1ALDH1A1
SCHEMBL19559254 0.71 SMN1; SMN2 (0.44) PSIP1LMNACCR5SMN1; SMN2HSD11B1
Phosphonic Acid SCHEMBL5581864 0.69 MMP1 (0.48) PSIP1CCR5SMN1; SMN2HSD11B1HTR6
SCHEMBL27547065 0.69 PSIP1 (0.47) PSIP1CCR5SMN1; SMN2HSD11B1HTR6
SCHEMBL2448076 0.69 MMP1 (0.51) PSIP1CCR5SMN1; SMN2HSD11B1HTR6
SCHEMBL19779348 0.68 CYP2C19 (0.38) PSIP1LMNACCR5HSD11B1HTR6
Water SCHEMBL28091272 0.68 HTR6 (0.45) PSIP1LMNASMN1; SMN2HTR6TDP1

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 3434/4885LMNA 2195/4885CCR5 468/4885
US-20220144769-A1 COMPOUND CBR3, SFXN3, CBR1 PSIP1 1545/4885LMNA 4541/4885CCR5 133/4885
US-11466026-B2 Organic electroluminescent materials and devices OCIAD1, OCIAD2, SLCO4C1 PSIP1 2146/4885LMNA 3574/4885CCR5 2293/4885
US-20220407026-A1 ORGANIC ELECTROLUMINESCENT DEVICE L1CAM, EPCAM, EML4 PSIP1 575/4885LMNA 1318/4885CCR5 4060/4885
US-20230102728-A1 METHOD OF PREPARING SILANOLS WITH SELECTIVE CYTOCHROME P450 VARIANTS AND RELATED COMPOUNDS AND COMPOSITIONS CYP2E1, POR, CYP3A43 PSIP1 2771/4885LMNA 2110/4885CCR5 674/4885
US-10005813-B2 Methods for the purification of deoxycholic acid HSD11B1, HSD17B7, HSD17B13 PSIP1 3434/4885LMNA 2195/4885CCR5 468/4885
US-20170320905-A1 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID HSD11B1, HSD17B7, HSD17B13 PSIP1 3434/4885LMNA 2195/4885CCR5 468/4885
US-11437591-B2 Organic electroluminescent materials and devices OCIAD2, EML4, KCNJ2 PSIP1 1105/4885LMNA 4422/4885CCR5 1168/4885
US-20180186819-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME OXER1, OCIAD1, OXA1L PSIP1 1583/4885LMNA 4334/4885CCR5 3375/4885
US-20210332064-A1 ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CANCER PGK1, PHKG1, NEK1 PSIP1 2878/4885LMNA 3495/4885CCR5 2240/4885

“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.