SCHEMBL321703

SCHEMBL321703

CCOc1cc(CC)cc(OCC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
LTA4H P09960 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
PTGS2 P35354 2/20 0.39
CALM1 P0DP23 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ESR1 P03372 2/20 0.38
AHR P35869 1/20 0.38
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MAPT P10636 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL13189262 0.91 CALM1 (0.50) NQO1TSHRPTGS2CALM1ESR1
SCHEMBL16951377 0.86 NQO1 (0.42) NQO1LTA4HTSHRTDP1TP53
SCHEMBL1683212 0.86 NQO1 (0.65) NQO1LTA4HTSHRTDP1TP53
SCHEMBL21432531 0.85 L3MBTL1 (0.44) NQO1LTA4HTSHRPTGS2CHRM2
SCHEMBL8048694 0.84 LTA4H (0.48) NQO1LTA4HPTGS2CALM1
SCHEMBL16951373 0.84 NQO1 (0.41) NQO1LTA4HTSHRTDP1TP53
SCHEMBL13361876 0.84 FGFR1 (0.41) NQO1LTA4HTSHRTDP1TP53
SCHEMBL16956809 0.84 NQO1 (0.41) NQO1LTA4HTSHRTDP1TP53
SCHEMBL25468625 0.81 NQO1 (0.38) NQO1LTA4HTSHRTDP1TP53
SCHEMBL16956598 0.81 ALDH1A1 (0.43) NQO1LTA4HTP53MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4008405-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR Taisho Pharmaceutical Co., Ltd. (JP) 2022-06-08 EP disclosed
EP-3551625-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC (US) 2019-10-16 EP disclosed
WO-2018111904-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC (US) 2018-06-21 WO disclosed
US-9738753-B2 Programmed degradation of polymers derived from biomass NDSU RESEARCH FOUNDATION (US) 2017-08-22 US disclosed
US-20160108172-A1 PROGRAMMED DEGRADATION OF POLYMERS DERIVED FROM BIOMASS NORTH DAKOTA STATE UNIVERSITY 2016-04-21 US disclosed
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 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 (2 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-20160108172-A1 PROGRAMMED DEGRADATION OF POLYMERS DERIVED FROM BIOMASS PARG, PPOX, PGLS NQO1 333/4885LTA4H 1094/4885TSHR 4715/4885
US-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 NQO1 174/4885LTA4H 752/4885TSHR 2994/4885

“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.