SCHEMBL14339786

SCHEMBL14339786

Cc1c(Br)ccc2c(C)c(Br)ccc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
EPRS1 P07814 1/20 0.33
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31

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
SCHEMBL16518366 0.84 KMT2A (0.38) ALDH1A1EPRS1HPGDTSHR
SCHEMBL29380074 0.82 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL1590024 0.82 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL24665529 0.79 HPRT1 (0.58) ALDH1A1CYP3A4HPGDTSHRMAPK1
SCHEMBL18370284 0.76 PARP1 (0.56) ALDH1A1CYP3A4HPGDCASP1RAB9A
SCHEMBL18370996 0.76 NOS2 (0.45) ALDH1A1CCR1CCR5CCR8
SCHEMBL18370280 0.76 LMNA (0.46) ALDH1A1CYP3A4MAPK1CCR1CCR5
SCHEMBL6042829 0.75 CYP2A6 (0.43) ALDH1A1EPRS1HPGDMAPK1L3MBTL1
SCHEMBL4164226 0.75 MEN1 (0.32) TSHR
SCHEMBL4165391 0.75 ESR2 (0.41) ALDH1A1HPGDTSHRHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160369045-A1 NOVEL FUSED NAPHTHALENE CYCLOHETERO RING COMPOUNDS, AND METHODS AND USES THEREOF CORNING INC (US) 2016-12-22 US disclosed
US-20150045560-A1 NOVEL FUSED NAPHTHALENE CYCLOHETERO RING COMPOUNDS, AND METHODS AND USES THEREOF CORNING INCORPORATED 2015-02-12 US disclosed
US-20070287821-A1 Synthesis of Polynaphthalenes and Their Use BASF AKTIENGESELLSCHAFT (DE) 2007-12-13 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-20150045560-A1 NOVEL FUSED NAPHTHALENE CYCLOHETERO RING COMPOUNDS, AND METHODS AND USES THEREOF FDPS, PPOX, DHPS ALDH1A1 2064/4885EPRS1 723/4885CYP3A4 215/4885

“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.