SCHEMBL11965071

SCHEMBL11965071

Cc1noc2c1CCc1cc(F)ccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 8/20 0.43
TP53 P04637 4/20 0.43
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
CYP19A1 P11511 6/20 0.38
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
MAPT P10636 5/20 0.38
MAPK1 P28482 2/20 0.38
THRB P10828 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL11965065 0.84 CYP1A2 (0.52) CYP1A2CYP2D6HSD17B10SMN1; SMN2TP53
SCHEMBL11965101 0.79 CYP1A2 (0.79) CYP1A2CYP2D6HSD17B10SMN1; SMN2TP53
SCHEMBL11902893 0.77 SMN1; SMN2 (0.56) CYP1A2CYP2D6HSD17B10SMN1; SMN2TP53
SCHEMBL21369979 0.72 S1PR1 (0.54) CYP3A4
SCHEMBL11965103 0.70 CYP11B2 (0.38) CYP19A1CYP11B1CYP11B2SRD5A1
SCHEMBL7665011 0.68 PARP10 (0.46) CYP2D6CYP19A1CYP11B1CYP11B2SRD5A1
SCHEMBL17264641 0.66 MAPT (0.55) CYP1A2CYP2D6HSD17B10SMN1; SMN2TP53
SCHEMBL5729648 0.64 S1PR1 (0.60) CYP1A2CYP2D6CYP2C9
SCHEMBL1009901 0.64 MAOA (0.50) ALDH1A1CYP19A1CYP11B1CYP11B2MAPT
SCHEMBL3369293 0.63 CYP11B2 (0.46) CYP19A1CYP11B1CYP11B2SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 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-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 CYP1A2 820/4885CYP2D6 1056/4885HSD17B10 651/4885

“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.