SCHEMBL278323

SCHEMBL278323

CCOc1cc(OCC)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.46
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
ESR1 P03372 2/20 0.36
AHR P35869 1/20 0.36
HMGCR P04035 1/20 0.36
MAPK1 P28482 1/20 0.36
LTA4H P09960 2/20 0.35
PTGS2 P35354 1/20 0.35
POLB P06746 1/20 0.34
HTR1D P28221 1/20 0.34

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
SCHEMBL25468623 0.95 NQO1 (0.46) NQO1EPHX2NR1H4TSHRTDP1
SCHEMBL13169388 0.92 ESR1 (0.47) NQO1EPHX2NR1H4TDP1ESR1
SCHEMBL31440669 0.89 RXRA (0.47) NQO1EPHX2NR1H4TSHRTDP1
SCHEMBL22861117 0.87 NQO1 (0.39) NQO1EPHX2NR1H4TSHRTDP1
SCHEMBL25468625 0.86 NQO1 (0.38) NQO1EPHX2NR1H4TSHRTDP1
SCHEMBL16961484 0.86 NQO1 (0.38) NQO1EPHX2NR1H4TSHRTDP1
SCHEMBL25468619 0.86 MAPT (0.39) NQO1EPHX2NR1H4TSHRTDP1
SCHEMBL12886692 0.86 FGFR1 (0.39) NQO1EPHX2NR1H4TSHRTDP1
SCHEMBL25468624 0.82 ALDH1A1 (0.36) NQO1EPHX2NR1H4TSHRTDP1
SCHEMBL16959409 0.82 EPHX2 (0.39) NQO1EPHX2NR1H4GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 2023-05-11 US disclosed
US-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 2023-05-11 US disclosed
US-11518757-B2 Sulphonyl urea derivatives as NLRP3 inflammasome modulators NodThera Limited (GB) 2022-12-06 US disclosed
EP-4008405-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR Taisho Pharmaceutical Co., Ltd. (JP) 2022-06-08 EP disclosed
WO-2021020429-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR 大正製薬株式会社 2021-02-04 WO disclosed
US-20210002261-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 2021-01-07 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 (4 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-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NLRP3, NOD1, IL1B NQO1 517/4885EPHX2 3924/4885NR1H4 3348/4885
US-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 NQO1 174/4885EPHX2 355/4885NR1H4 300/4885
US-11518757-B2 Sulphonyl urea derivatives as NLRP3 inflammasome modulators NLRP3, NOD1, IL1B NQO1 517/4885EPHX2 3924/4885NR1H4 3348/4885
US-20210002261-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NLRP3, NOD1, IL1B NQO1 517/4885EPHX2 3924/4885NR1H4 3348/4885

“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.