SCHEMBL3908016

SCHEMBL3908016

OCc1ccc(C2CCCC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.40
ACMSD Q8TDX5 2/20 0.40
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 2/20 0.38
APP P05067 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
PANK3 Q9H999 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ESR1 P03372 5/20 0.37
ESR2 Q92731 5/20 0.37
CYP2D6 P10635 1/20 0.37
KMO O15229 1/20 0.37
PDK2 Q15119 1/20 0.36
DPP4 P27487 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 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
SCHEMBL3902288 0.98 ACMSD (0.41) HTR1DACMSDCYP3A4CYP2C9APP
SCHEMBL15778154 0.93 PANK3 (0.41) CYP3A4CYP2C9PANK3HRH3ESR1
SCHEMBL16070838 0.83 ESR2 (0.38) CYP3A4CYP2C9APPHDAC2PANK3
SCHEMBL3913984 0.82 HTR1D (0.40) HTR1DACMSDHDAC4HDAC2HDAC8
SCHEMBL24818052 0.81 RAF1 (0.36) PANK3HRH3KDM5AKDM4CKDM5B
SCHEMBL31321792 0.81 RAF1 (0.36) PANK3HRH3KDM5AKDM4CKDM5B
SCHEMBL3900939 0.81 HTR1D (0.41) HTR1DACMSDCYP3A4CYP2C9APP
SCHEMBL18097790 0.79 PANK3 (0.40) HTR1DCYP3A4CYP2C9PANK3HRH3
SCHEMBL3900903 0.78 POLQ (0.48) HTR1DACMSDCYP3A4CYP2C9HDAC4
SCHEMBL16961908 0.78 ESR2 (0.39) CYP3A4CYP2C9PANK3ESR1ESR2

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 HTR1D 265/4885ACMSD 3158/4885CYP3A4 1134/4885

“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.