SCHEMBL3900809

SCHEMBL3900809

COC(=O)c1ccc(C2CC2)c(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.49
RBP4 P02753 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
MAPT P10636 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
FAAH O00519 1/20 0.41
EPHX2 P34913 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL10184312 0.84 MRGPRX4 (0.47) MRGPRX4FAAHEPHX2CA12CA1
SCHEMBL3902326 0.80 RBP4 (0.60) NOTUMRBP4CHRNB2CHRNA4SLC6A3
SCHEMBL670467 0.80 NOTUM (0.42) NOTUMRBP4MRGPRX4FAAHEPHX2
SCHEMBL25049608 0.79 CREBBP (0.48) MAPTCHRNB2CHRNA4CA12CA1
SCHEMBL18952359 0.79 MAPT (0.43) RBP4MAPTCHRNB2CHRNA4CA12
SCHEMBL28596546 0.79 NOTUM (0.43) NOTUMMRGPRX4FAAHEPHX2KDM4E
SCHEMBL1110800 0.78 NOTUM (0.58) NOTUMMRGPRX4MAPTEPHX2CA12
SCHEMBL10321468 0.78 CA12 (0.59) NOTUMMRGPRX4MAPTCA12CA1
SCHEMBL25953851 0.78 CA12 (0.46) NOTUMRBP4MAPTCHRNB2CHRNA4
SCHEMBL16335478 0.78 NOTUM (0.76) NOTUMMRGPRX4MAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 NOTUM 2224/4885RBP4 4525/4885MRGPRX4 86/4885

“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.