SCHEMBL16631687

SCHEMBL16631687

CCCCOc1ccc(Br)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL15918541 0.91 ALDH1A1 (0.37) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL13213589 0.84 HTR7 (0.35) NPC1RAB9AALDH1A1KMT2ALMNA
SCHEMBL16783076 0.83 BTK (0.37) NPC1RAB9AALDH1A1MEN1MAPT
SCHEMBL15485538 0.83 NCF1 (0.39) NPC1RAB9AALDH1A1MEN1MAPT
SCHEMBL15740111 0.82 CA12 (0.37) NPC1RAB9ARECQLALDH1A1MEN1
SCHEMBL15228340 0.82 TSHR (0.44) NPC1RAB9AALDH1A1MEN1MAPT
SCHEMBL15464691 0.79 MKNK1 (0.39) NPC1RAB9ALMNAHTR7SMN1; SMN2
SCHEMBL16829617 0.79 TSHR (0.48) RAB9AKMT2ATSHRGAAL3MBTL1
SCHEMBL29423939 0.79 CYSLTR2 (0.44) L3MBTL1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL16809050 0.79 NPC1 (0.39) NPC1RAB9ARECQLALDH1A1MEN1

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 NPC1 1636/4885RAB9A 3376/4885RECQL 435/4885

“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.