SCHEMBL14770290

SCHEMBL14770290

BCCCCN(CCCC)c1ccc(C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.44
CASR P41180 1/20 0.39
EGFR P00533 2/20 0.39
ERBB2 P04626 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CRHR1 P34998 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
SCHEMBL11974253 0.90 CNR2 (0.48) CNR2CASREGFRERBB2SMN1; SMN2
SCHEMBL4876985 0.88 CNR2 (0.52) CNR2CASREGFRERBB2SMN1; SMN2
SCHEMBL14496272 0.86 CNR2 (0.54) CNR2CASREGFRERBB2SMN1; SMN2
SCHEMBL12056655 0.82 EGFR (0.46) CNR2CASREGFRERBB2SMN1; SMN2
SCHEMBL655214 0.77 CNR2 (0.49) CNR2EGFRERBB2TSHRALDH1A1
SCHEMBL7153351 0.76 EGFR (0.50) CNR2EGFRERBB2L3MBTL1TSHR
SCHEMBL20066465 0.75 CNR2 (0.47) CNR2CASREGFRERBB2L3MBTL1
SCHEMBL1459455 0.74 EGFR (0.44) CNR2EGFRERBB2L3MBTL1TSHR
SCHEMBL3901022 0.74 CNR2 (0.44) CNR2EGFRERBB2
SCHEMBL11225823 0.74 CNR2 (0.50) CNR2EGFRERBB2SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065849-A1 BIPHOTONIC PHOTOSENSITIZERS, NANOPARTICLES CONTAINING THE SAME AND THEIR USE AS DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-03-14 US 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-20130065849-A1 BIPHOTONIC PHOTOSENSITIZERS, NANOPARTICLES CONTAINING THE SAME AND THEIR USE AS DRUGS CCNB1, ABCB1, CA6 CNR2 552/4885CASR 3229/4885EGFR 456/4885

“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.