SCHEMBL2174626

SCHEMBL2174626

CCCc1cc(C)c(-c2c(C)cc(CCC)cc2O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.47
CNR2 P34972 5/20 0.45
CNR1 P21554 4/20 0.45
TRPA1 O75762 2/20 0.44
TRPV1 Q8NER1 2/20 0.44
TRPV3 Q8NET8 2/20 0.44
TRPV4 Q9HBA0 2/20 0.44
TRPV2 Q9Y5S1 2/20 0.44
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2B6 P20813 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL5676527 0.83 HTT (0.50) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL2172071 0.82 TRPA1 (0.48) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL23387402 0.81 HTT (0.59) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL542181 0.79 PTGS2 (0.55) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL1179864 0.79 HTT (0.56) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL27861750 0.79 HTT (0.57) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL2172119 0.78 CNR2 (0.45) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL28914097 0.77 PTGS2 (0.53) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL1173905 0.77 HTT (0.52) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL28513369 0.76 SENP1 (0.44) ALDH1A1CNR2CNR1ESR1ESR2

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 HTT 4253/4885NPC1 3196/4885HPGD 3513/4885

“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.