SCHEMBL3500162

SCHEMBL3500162

O=C(O)Cc1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.71
MAOB P27338 7/20 0.64
PARP10 Q53GL7 1/20 0.64
FFAR1 O14842 1/20 0.59
APP P05067 1/20 0.59
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
RXRG P48443 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
S1PR5 Q9H228 1/20 0.56
GSK3B P49841 1/20 0.56
BACE1 P56817 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55

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
SCHEMBL11596764 0.88 NR4A2 (0.54) NR4A2MAOBPARP10FFAR1
SCHEMBL5088911 0.87 NR4A2 (0.58) NR4A2MAOBPARP10FFAR1APP
SCHEMBL4429942 0.86 NR4A2 (0.71) NR4A2MAOBPARP10FFAR1APP
SCHEMBL1066614 0.86 FFAR1 (0.70) NR4A2MAOBPARP10FFAR1
SCHEMBL3501067 0.85 NR4A2 (0.64) NR4A2MAOBPARP10FFAR1APP
SCHEMBL3961295 0.85 FFAR1 (0.59) NR4A2FFAR1
Ammonia Solution, Strong SCHEMBL27788257 0.84 FFAR1 (0.68) NR4A2MAOBPARP10FFAR1
SCHEMBL4222632 0.84 FFAR1 (0.68) NR4A2MAOBPARP10FFAR1
Hydrochloric Acid SCHEMBL10622121 0.84 FFAR1 (0.68) NR4A2MAOBPARP10FFAR1
SCHEMBL3500048 0.84 SRD5A2 (0.62) NR4A2FFAR1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-7348017-B2 Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin SHISEIDO CO., LTD. (JP) 2008-03-25 US disclosed
EP-1422224-B1 DITHIAZOLE COMPOUNDS, MATRIX METALLOPROTEASE INHIBITORS AND EXTERNAL PREPARATIONS FOR THE SKIN SHISEIDO CO LTD (JP) 2007-12-19 EP disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP disclosed
US-6835724-B2 Topical antiinflammatory agents for treating inflammatory dermatoses AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-28 US disclosed
US-20040236111-A1 Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin SHISEIDO CO., LTD. (JP) 2004-11-25 US disclosed
EP-1422224-A1 DITHIAZOLE COMPOUNDS, MATRIX METALLOPROTEASE INHIBITORS AND EXTERNAL PREPARATIONS FOR THE SKIN Shiseido Co., Ltd. (JP) 2004-05-26 EP disclosed
US-20020103392-A1 CORTICOID-17,21-DICARBOXYLIC ESTERS AND CORTICOSTEROID 17-CARBOXYLIC ESTER 21-CARBONIC ESTERS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-01 US disclosed
US-5824670-A ANTIINFLAMMATORY AGENTS; TREATING DERMATOSES HOECHST AKTIENGESELLSCHAFT (DE) 1998-10-20 US disclosed
US-5608093-A ANTIINFLAMMATORY AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
EP-0708111-A1 17-Desoxy corticosteroid-21-esters, a process for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-24 EP 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 (3 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 NR4A2 32/4885MAOB 3606/4885PARP10 1500/4885
US-20040236111-A1 Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin MMP1, MMP2, MMP3 NR4A2 2425/4885MAOB 1151/4885PARP10 3607/4885
US-20020103392-A1 CORTICOID-17,21-DICARBOXYLIC ESTERS AND CORTICOSTEROID 17-CARBOXYLIC ESTER 21-CARBONIC ESTERS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS NR3C1, HSD3B1, HSD17B7 NR4A2 320/4885MAOB 1406/4885PARP10 4329/4885

“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.