SCHEMBL16631718

SCHEMBL16631718

CCCCOc1ncc(Br)c(F)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
CYP19A1 P11511 4/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CYP2D6 P10635 5/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
CYP2C9 P11712 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP3A4 P08684 3/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
TLR7 Q9NYK1 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK8 P45983 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL11604079 0.75 MEN1 (0.36) CYP2D6NPC1RAB9ACYP2C9SMN1; SMN2
SCHEMBL16631721 0.75 EDNRB (0.42) CYP19A1THRATHRBCYP2D6NPC1
SCHEMBL13764995 0.74 TLR7 (0.40) CYP2D6NPC1RAB9ACYP3A4TLR7
SCHEMBL16631624 0.71 THRA (0.38) GAACYP19A1THRATHRBCYP2D6
SCHEMBL13530389 0.71 RXRA (0.34) CYP2D6NPC1RAB9ACYP2C9SMN1; SMN2
SCHEMBL13529780 0.71 RXRA (0.41) NPC1RAB9ASMN1; SMN2MAPTTLR7
SCHEMBL598441 0.71 CYP2D6 (0.43) CYP19A1CYP2D6NPC1RAB9ACYP2C9
SCHEMBL16631695 0.70 GABRP (0.33) GAACYP19A1CYP2D6NPC1RAB9A
SCHEMBL13530369 0.70 CYP3A4 (0.33) CYP2D6NPC1RAB9ACYP2C9SMN1; SMN2
SCHEMBL13530072 0.70 SYK (0.37) CYP2D6CYP2C9SMN1; SMN2CYP3A4MAPT

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 GAA 973/4885CYP19A1 4868/4885THRA 4023/4885

“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.