SCHEMBL4386768

SCHEMBL4386768

COCOc1cc(OCOC)cc(C(C(=O)OC)c2cccc(C#N)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.41
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
KCNA5 P22460 2/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
CNR1 P21554 1/20 0.37
GPR139 Q6DWJ6 1/20 0.36
VNN1 O95497 2/20 0.36
MAOB P27338 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
MCHR1 Q99705 1/20 0.36
NLRP3 Q96P20 1/20 0.36
TNF P01375 1/20 0.35

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
SCHEMBL6166510 0.81 KMT2A (0.47) CACNA1FCACNA1DCACNA1SCACNA1CCNR1
SCHEMBL4390347 0.81 KMT2A (0.43) MAOB
SCHEMBL4389620 0.81 FYN (0.40) FFAR1
SCHEMBL4388878 0.80 CACNA1F (0.39) FFAR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL4384811 0.80 NPC1 (0.36) FFAR1MAOB
SCHEMBL4386274 0.77 RAB9A (0.39) FFAR1
SCHEMBL4378824 0.77 NPC1 (0.35) FFAR1
SCHEMBL4392528 0.76 HIF1A (0.40) FFAR1
SCHEMBL4378281 0.74 MAPT (0.39) MAOB
SCHEMBL4382164 0.73 MEN1 (0.34) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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 (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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P FFAR1 1445/4885CACNA1F 4442/4885CACNA1D 4313/4885

“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.