SCHEMBL205181

SCHEMBL205181

COc1ccc2c(c1)OCC2C(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.50
LTB4R2 Q9NPC1 3/20 0.50
USP2 O75604 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP19A1 P11511 2/20 0.44
ABCB1 P08183 2/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
MTNR1A P48039 2/20 0.42
PTGS2 P35354 3/20 0.41
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
PTGS1 P23219 2/20 0.41
CDC42 P60953 1/20 0.41
RAC1 P63000 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL5788067 0.84 PPARG (0.51) LTB4RLTB4R2TSHRPPARGPPARD
SCHEMBL17431399 0.83 LTB4R (0.40) LTB4RLTB4R2CYP3A4
SCHEMBL205688 0.83 LTB4R (0.40) LTB4RLTB4R2CYP3A4
SCHEMBL204322 0.83 LTB4R (0.40) LTB4RLTB4R2CYP3A4
SCHEMBL1707953 0.82 LTB4R (0.39) LTB4RLTB4R2PTGS2PTGS1PPARG
SCHEMBL3502661 0.82 LTB4R (0.39) LTB4RLTB4R2PTGS2PTGS1PPARG
SCHEMBL15211507 0.79 FFAR1 (0.39) LTB4RLTB4R2PPARGPPARDFFAR1
SCHEMBL15211639 0.78 NR4A2 (0.48) PPARGPPARDFFAR1
SCHEMBL17431445 0.78 FFAR1 (0.43) PPARGPPARDFFAR1
SCHEMBL2835608 0.77 CYP3A4 (0.48) LTB4RLTB4R2USP2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431367-A2 Fused cyclic compounds as GPR40 receptor modulators Takeda Pharmaceutical Company Limited (JP) 2012-03-21 EP disclosed
US-20120046338-A1 FUSED CYCLIC COMPOUNDS YASUMA TSUNEO (JP) 2012-02-23 US disclosed
EP-2041123-B1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2012-02-01 EP disclosed
US-8088821-B2 Fused cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-03 US disclosed
US-7732626-B2 Fused cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-20100004312-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 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 (2 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-20100004312-A1 FUSED CYCLIC COMPOUNDS GPR119, GLP1R, GPR65 LTB4R 386/4885LTB4R2 429/4885USP2 4732/4885
US-20120046338-A1 FUSED CYCLIC COMPOUNDS GPR119, GLP1R, GPR65 LTB4R 386/4885LTB4R2 429/4885USP2 4732/4885

“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.