SCHEMBL17431237

SCHEMBL17431237

Cc1ccc(O)c(-c2cc(C)cc(OS)c2O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
AMY1A P0DUB6 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
TP53 P04637 2/20 0.39
IDO1 P14902 1/20 0.39
MAPT P10636 7/20 0.38
KMT2A Q03164 6/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
APEX1 P27695 1/20 0.38
MPI P34949 1/20 0.38
RECQL P46063 1/20 0.38
ALOX15 P16050 4/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 5/20 0.36
MEN1 O00255 5/20 0.36
LMNA P02545 3/20 0.36
USP2 O75604 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
SCHEMBL17431234 0.90 KMT2A (0.42) TRPA1AMY1ATDP1TP53IDO1
SCHEMBL18723288 0.86 KDM4E (0.41) TDP1TP53MAPTKMT2AALDH1A1
SCHEMBL17886767 0.85 ALDH1A1 (0.42) TDP1MAPTKMT2AALDH1A1GAA
SCHEMBL17808642 0.85 PTGS1 (0.44) TRPA1TDP1TP53MAPTKMT2A
SCHEMBL16014627 0.84 ACHE (0.48) TRPA1AMY1ATDP1TP53IDO1
SCHEMBL6567310 0.81 TRPA1 (0.54) TRPA1AMY1ATDP1TP53IDO1
SCHEMBL17886969 0.80 GAA (0.41) TDP1TP53MAPTKMT2AALDH1A1
SCHEMBL17886873 0.79 LMNA (0.37) TRPA1TP53MAPTKMT2AALDH1A1
SCHEMBL18826296 0.77 TRPA1 (0.56) TRPA1AMY1ATDP1TP53IDO1
SCHEMBL19820287 0.77 ESR2 (0.46) MAPTKMT2AALDH1A1MEN1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670239-B2 Bisphosphites having an outer naphthyl-phenyl unit and a central 2,3′-biphenol unit EVONIK DEGUSSA GMBH (DE) 2017-06-06 US disclosed
US-9670108-B2 Bisphosphites having a central 2,3′-biphenol unit EVONIK DEGUSSA GMBH (DE) 2017-06-06 US disclosed
US-9643987-B2 Monophosphites having an unsymmetric biaryl unit EVONIK DEGUSSA GMBH (DE) 2017-05-09 US disclosed
US-9617290-B2 Bisphosphites having an outer naphthyl-phenyl unit EVONIK DEGUSSA GMBH (DE) 2017-04-11 US disclosed
US-20160159835-A1 BISPHOSPHITES HAVING AN OUTER NAPHTHYL-PHENYL UNIT EVONIK DEGUSSA GMBH (DE) 2016-06-09 US disclosed
US-20160159836-A1 BISPHOSPHITES HAVING AN OUTER NAPHTHYL-PHENYL UNIT AND A CENTRAL 2,3'-BIPHENOL UNIT EVONIK DEGUSSA GMBH (DE) 2016-06-09 US disclosed
US-20160159838-A1 MONOPHOSPHITES HAVING AN UNSYMMETRIC BIARYL UNIT EVONIK DEGUSSA GMBH (DE) 2016-06-09 US disclosed
US-20160159839-A1 BISPHOSPHITES HAVING AN UNSYMMETRIC CENTRAL BIARYL UNIT EVONIK DEGUSSA GMBH (DE) 2016-06-09 US disclosed
US-20160010225-A1 ELECTROCHEMICAL COUPLING OF TWO PHENOLS WHICH DIFFER IN THEIR OXIDATION POTENTIAL EVONIK DEGUSSA GMBH (DE) 2016-01-14 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 (5 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-20160159839-A1 BISPHOSPHITES HAVING AN UNSYMMETRIC CENTRAL BIARYL UNIT BPGM, BCR, PTH1R TRPA1 4484/4885AMY1A 4828/4885TDP1 4523/4885
US-20160010225-A1 ELECTROCHEMICAL COUPLING OF TWO PHENOLS WHICH DIFFER IN THEIR OXIDATION POTENTIAL COMT, MT-CO2, CYP11B2 TRPA1 2870/4885AMY1A 4442/4885TDP1 3961/4885
US-20160159835-A1 BISPHOSPHITES HAVING AN OUTER NAPHTHYL-PHENYL UNIT BPGM, SOST, PPA1 TRPA1 2707/4885AMY1A 4746/4885TDP1 3953/4885
US-20160159836-A1 BISPHOSPHITES HAVING AN OUTER NAPHTHYL-PHENYL UNIT AND A CENTRAL 2,3'-BIPHENOL UNIT BPGM, PHOSPHO1, PPA1 TRPA1 4016/4885AMY1A 4781/4885TDP1 4191/4885
US-20160159838-A1 MONOPHOSPHITES HAVING AN UNSYMMETRIC BIARYL UNIT RUVBL2, RFC4, HIRIP3 TRPA1 4370/4885AMY1A 2978/4885TDP1 3496/4885

“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.