SCHEMBL2172071

SCHEMBL2172071

CCc1cc(C)c(-c2c(C)cc(CC)cc2O)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CNR2 P34972 2/20 0.36
OPRM1 P35372 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
HTR2A P28223 2/20 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
SCHEMBL2174626 0.82 HTT (0.50) TRPA1ESR1ESR2HPGDNPC1
SCHEMBL13384693 0.81 TRPA1 (0.48) TRPA1ESR1ESR2HPGDNPC1
SCHEMBL5680788 0.81 TRPA1 (0.48) TRPA1ESR1ESR2HPGDNPC1
SCHEMBL13175021 0.77 TRPA1 (0.45) TRPA1ESR1ESR2HPGDNPC1
SCHEMBL31200486 0.77 TRPA1 (0.45) TRPA1ESR1ESR2HPGDNPC1
SCHEMBL1023068 0.77 PTGS1 (0.55) TRPA1ESR1ESR2ALOX5PTGS1
SCHEMBL67845 0.77 TRPA1 (0.54) TRPA1ESR1ESR2HPGDNPC1
SCHEMBL2174289 0.76 TRPA1 (0.48) TRPA1ESR1ESR2HPGDNPC1
SCHEMBL1173818 0.74 TRPA1 (0.56) TRPA1ESR1HPGDNPC1MAPK1
SCHEMBL1179394 0.72 TRPA1 (0.54) TRPA1HPGDNPC1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346887-B1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES DOW TECHNOLOGY INVESTMENTS LLC (US) 2013-12-25 EP disclosed
US-8546600-B2 Slurry process for synthesis of bisphosphites and situ use thereof for producing bisphosphite DOW TECHNOLOGY INVESTMENTS LLC 2013-10-01 US disclosed
US-20110196166-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES AND SITU USE THEREOF FOR PRODUCING BISPHOSPHITE DOW TECHNOLOGY INVESTMENTS LLC 2011-08-11 US disclosed
EP-2346887-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES Dow Technology Investments LLC (US) 2011-07-27 EP disclosed
WO-2010042313-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES DOW TECHNOLOGY INVESTMENTS LLC (US) 2010-04-15 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-20110196166-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES AND SITU USE THEREOF FOR PRODUCING BISPHOSPHITE SOST, PLCB3, PPIP5K2 TRPA1 1876/4885ESR1 2970/4885ESR2 3605/4885

“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.