SCHEMBL3900903

SCHEMBL3900903

OCc1ccc(C2CCCCC2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.48
PDK2 Q15119 1/20 0.43
AR P10275 3/20 0.40
ACMSD Q8TDX5 2/20 0.40
HTR2A P28223 1/20 0.39
KMO O15229 1/20 0.37
HTR1D P28221 1/20 0.37
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
BACE1 P56817 1/20 0.36
ESR2 Q92731 1/20 0.36
KDM1A O60341 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
EPHX2 P34913 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
SCHEMBL13598445 0.88 PDK2 (0.41) POLQPDK2ACMSDHTR2AKMO
SCHEMBL3901881 0.86 POLQ (0.44) POLQPDK2ARACMSDHTR2A
SCHEMBL3903890 0.84 POLQ (0.45) POLQPDK2ARACMSDHTR2A
SCHEMBL11743772 0.80 ACMSD (0.53) POLQPDK2ARACMSDHTR2A
SCHEMBL3902288 0.80 ACMSD (0.41) PDK2ACMSDKMOHTR1DCYP3A4
SCHEMBL27459435 0.78 ACMSD (0.51) POLQPDK2ARACMSDHTR2A
SCHEMBL3908016 0.78 HTR1D (0.40) PDK2ACMSDKMOHTR1DCYP3A4
SCHEMBL13256360 0.77 ADCY8 (0.45) POLQPDK2ARACMSDHTR2A
SCHEMBL13256372 0.77 ADCY8 (0.45) POLQPDK2ARACMSDHTR2A
SCHEMBL3903846 0.76 ACMSD (0.60) POLQPDK2ACMSDKMOCYP3A4

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 POLQ 4326/4885PDK2 1823/4885AR 611/4885

“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.