SCHEMBL3964624

SCHEMBL3964624

O=C(Cc1cccc(OC2CCCC2)c1)OC1CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.54
HDAC4 P56524 3/20 0.46
MEF2D Q14814 3/20 0.46
POLB P06746 1/20 0.46
HRH1 P35367 1/20 0.45
BRS3 P32247 2/20 0.43
CACNA1B Q00975 1/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLKB1 P03952 1/20 0.42
PRSS1 P07477 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
OPRK1 P41145 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
KAT6A Q92794 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
SCHEMBL3965935 0.84 THRA (0.54) HDAC4MEF2DHRH1BRS3MAPT
SCHEMBL21807100 0.83 POLB (0.50) HDAC4MEF2DPOLBHRH1MAPT
SCHEMBL11631841 0.83 CYP19A1 (0.56) CYP19A1POLBOPRK1
SCHEMBL12985373 0.81 HRH1 (0.53) HDAC4MEF2DHRH1OPRK1
SCHEMBL6353504 0.80 CYP19A1 (0.49) CYP19A1POLBCACNA1BMAPT
SCHEMBL9103392 0.79 EPHX2 (0.60) CYP19A1POLBMAPTSIGMAR1
SCHEMBL5049441 0.79 CYP19A1 (0.71) CYP19A1MAPK1
SCHEMBL11666873 0.78 CYP19A1 (0.54) CYP19A1POLBMAPTOPRK1
SCHEMBL27820726 0.77 CYP19A1 (0.71) CYP19A1MAPK1
SCHEMBL1301606 0.77 CYP19A1 (0.71) CYP19A1MAPK1

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
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 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 (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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R CYP19A1 492/4885HDAC4 2135/4885MEF2D 1091/4885

“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.