SCHEMBL3807690

SCHEMBL3807690

COCc1c(C)cc(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HRH3 Q9Y5N1 3/20 0.38
RAPGEF4 Q8WZA2 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ACHE P22303 1/20 0.33
KCNH2 Q12809 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
IGF1R P08069 1/20 0.31
SRC P12931 1/20 0.31
AXL P30530 1/20 0.31
PTK2 Q05397 1/20 0.31

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
SCHEMBL893113 0.84 HPGD (0.44) HPGDHSD17B10ALDH1A1KDM4EGAA
SCHEMBL14008505 0.82 HPGD (0.47) HPGDHSD17B10ALDH1A1ACHEALOX15
SCHEMBL7890511 0.81 HRH3 (0.39) HPGDHRH3RAPGEF4CYP11B1CYP11B2
SCHEMBL19243066 0.81 HPGD (0.40) HPGDHSD17B10HRH3ALDH1A1
SCHEMBL23638591 0.80 HPGD (0.42) HPGDHSD17B10HTR1DHTR1BALDH1A1
SCHEMBL11930746 0.80 HPGD (0.42) HPGDHSD17B10ALDH1A1KDM4EGAA
SCHEMBL13626758 0.80 HPGD (0.42) HPGDHSD17B10ALDH1A1KDM4EGAA
SCHEMBL15216746 0.80 ALDH1A1 (0.46) HPGDHSD17B10ALDH1A1ACHE
SCHEMBL12895706 0.78 HPGD (0.41) HPGDHSD17B10RAPGEF4KDM4E
SCHEMBL12595154 0.78 L3MBTL1 (0.35) HPGDHSD17B10HRH3RAPGEF4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023121939-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-06-29 WO disclosed
US-20210363164-A1 Hydroxide-Catalyzed Formation Of Silicon-Oxygen Bonds By Dehydrogenative Coupling Of Hydrosilanes And Alcohols CALIFORNIA INSTITUTE OF TECHNOLOGY 2021-11-25 US disclosed
US-20170029447-A1 HYDROXIDE-CATALYZED FORMATION OF SILICON-OXYGEN BONDS BY DEHYDROGENATIVE COUPLING OF HYDROSILANES AND ALCOHOLS CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-02-02 US disclosed
US-8569349-B2 Therapeutic compounds ALLERGAN, INC. (US) 2013-10-29 US disclosed
US-8338637-B2 Glaucoma; prostaglandin receptor modulators; cyclopentyl compounds such as 5-{3-[(1S,5S)-5-(3-Chloro-5-hydroxymethyl-phenoxymethyl)-4-oxo-cyclopent-2-enyl]-propyl}-thiophene-2-carboxylic acid ALLERGAN, INC. (US) 2012-12-25 US disclosed
US-8252788-B2 Therapeutic compounds ALLERGAN, INC. (US) 2012-08-28 US disclosed
US-8003680-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-08-23 US disclosed
US-20110178084-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2011-07-21 US disclosed
US-7737140-B2 Eicosanoid derivatives used in the treatment of glaucoma, inflammatory bowel disease and alopecia ALLERGAN, INC. (US) 2010-06-15 US disclosed
US-20100048669-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2010-02-25 US disclosed
WO-1997012902-A1 THIO-SUBSTITUTED PEPTIDES AS INHIBITORS FOR METALLOPROTEINASES AND TNF LIBERATION DARWIN DISCOVERY LIMITED (GB) 1997-04-10 WO disclosed
WO-1997012861-A1 MERCAPTOAMIDE DERIVATIVES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1997-04-10 WO disclosed
WO-1997012887-A1 PURINE AND GUANINE DERIVATIVES AS PNP INHIBITORS CHIROSCIENCE LIMITED (GB) 1997-04-10 WO disclosed
WO-1996035711-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION, AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO disclosed
WO-1996035712-A1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO disclosed
WO-1996035687-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO disclosed
WO-1996035714-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USES CHIROSCIENCE LIMITED (GB) 1996-11-14 WO disclosed
WO-1996011200-A1 PURINE AND GUANINE COMPOUNDS AS INHIBITORS OF PNP CHIROSCIENCE LIMITED (GB) 1996-04-18 WO disclosed
WO-1996011209-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES CHIROSCIENCE LIMITED (GB) 1996-04-18 WO disclosed
WO-1991007378-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-05-30 WO 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 (4 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-20210363164-A1 Hydroxide-Catalyzed Formation Of Silicon-Oxygen Bonds By Dehydrogenative Coupling Of Hydrosilanes And Alcohols SORD, ADH1A, ADH1C HPGD 407/4885HSD17B10 91/4885HRH3 20/4885
US-20100048669-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, GOT1 HPGD 419/4885HSD17B10 1840/4885HRH3 1746/4885
US-20170029447-A1 HYDROXIDE-CATALYZED FORMATION OF SILICON-OXYGEN BONDS BY DEHYDROGENATIVE COUPLING OF HYDROSILANES AND ALCOHOLS SORD, ADH1A, ADH1C HPGD 407/4885HSD17B10 91/4885HRH3 20/4885
US-20110178084-A1 THERAPEUTIC COMPOUNDS DDO, QDPR, SLC10A1 HPGD 734/4885HSD17B10 2539/4885HRH3 1333/4885

“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.