SCHEMBL205688

SCHEMBL205688

CC(C(=O)O)[C@@H]1COc2cc(O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.40
LTB4R2 Q9NPC1 3/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TMEM97 Q5BJF2 2/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MGAM O43451 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CHRNB4 P30926 4/20 0.36
CHRNA3 P32297 4/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL17431399 1.00 LTB4R (0.40) LTB4RLTB4R2CYP3A4MAOAMAOB
SCHEMBL204322 1.00 LTB4R (0.40) LTB4RLTB4R2CYP3A4MAOAMAOB
SCHEMBL7179171 0.87 ESR1 (0.39) LTB4RLTB4R2CYP3A4MAOAMAOB
SCHEMBL1707953 0.84 LTB4R (0.39) LTB4RLTB4R2CHRNB4CHRNA3CHRNB2
SCHEMBL3502661 0.84 LTB4R (0.39) LTB4RLTB4R2CHRNB4CHRNA3CHRNB2
SCHEMBL205181 0.83 LTB4R (0.50) LTB4RLTB4R2CYP3A4
SCHEMBL17431445 0.80 FFAR1 (0.43)
SCHEMBL25845235 0.78 ESR1 (0.38) CYP3A4MAOAMAOBTMEM97HTR2B
SCHEMBL17431441 0.77 LTB4R (0.34) LTB4RLTB4R2HTR2B
SCHEMBL15211355 0.76 ESR1 (0.37) CYP3A4MAOAMAOBTMEM97HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
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-20100197761-A1 Fused cyclic compounds YASUMA TSUNEO 2010-08-05 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 (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-20100004312-A1 FUSED CYCLIC COMPOUNDS GPR119, GLP1R, GPR65 LTB4R 386/4885LTB4R2 429/4885CYP3A4 1696/4885
US-20120046338-A1 FUSED CYCLIC COMPOUNDS GPR119, GLP1R, GPR65 LTB4R 386/4885LTB4R2 429/4885CYP3A4 1696/4885
US-20100197761-A1 Fused cyclic compounds GPR119, GLP1R, GPR65 LTB4R 386/4885LTB4R2 429/4885CYP3A4 1696/4885

“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.