SCHEMBL3584577

SCHEMBL3584577

COC(=O)c1ccc(OCC=C(C)C)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.46
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
PDE4B Q07343 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
TRPA1 O75762 1/20 0.41
MTNR1A P48039 1/20 0.41
MAPT P10636 2/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
EGFR P00533 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
NOTUM Q6P988 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
XDH P47989 1/20 0.39
CA9 Q16790 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
SCHEMBL18010157 0.82 PTGES (0.62) PTGESPDE4BTRPA1MTNR1AMAPT
SCHEMBL18027746 0.82 PTGES (0.49) PTGESPDE4BTRPA1MTNR1AMAPT
SCHEMBL8203218 0.78 MAPT (0.48) PTGESPDE4BTRPA1MTNR1AMAPT
SCHEMBL5027170 0.78 MAPT (0.58) RARARARBRARGMAPTNOTUM
SCHEMBL9306887 0.76 THRA (0.65) THRATHRB
SCHEMBL5364510 0.76 RXRA (0.60) MAPTMRGPRX4HPGD
SCHEMBL8210781 0.76 ALDH1A1 (0.51) PTGESPDE4BMAPTALDH1A1
SCHEMBL9306905 0.76 THRA (0.65) THRATHRB
SCHEMBL7140730 0.76 PTGDR2 (0.62) PTGESPTGDR2TRPA1MTNR1AMAPT
SCHEMBL23611055 0.74 AR (0.55) PTGESPDE4BMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 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 (1 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 PTGES 265/4885RARA 1007/4885RARB 696/4885

“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.