SCHEMBL4257318

SCHEMBL4257318

CCc1cccc(P)c1CC.[Ru]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.44
▸ GABRB2 P47870 4/20 0.44
▸ TAAR1 Q96RJ0 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ KCNH2 Q12809 2/20 0.35
▸ SCN5A Q14524 2/20 0.35
▸ MAOA P21397 1/20 0.33
▸ PDK2 Q15119 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ DHFR P00374 1/20 0.31
▸ DAO P14920 1/20 0.31
▸ CACNA1C Q13936 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL231467 0.98 GABRA1 (0.46) GABRA1GABRB2TAAR1HTR1AKCNH2
Hydrochloric Acid SCHEMBL827415 0.86 GABRA1 (0.40) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL245773 0.80 GABRA1 (0.57) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL11228913 0.79 BID (0.42) GABRA1GABRB2KCNH2
SCHEMBL9407940 0.78 HTT (0.45) GABRA1GABRB2HTR1AKCNH2MAOA
SCHEMBL11225510 0.78 BID (0.45) KCNH2
SCHEMBL11223954 0.78 TP53 (0.41) GABRA1GABRB2TAAR1HTR1ATP53
SCHEMBL31498538 0.78 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1AKCNH2
Methane SCHEMBL28776675 0.78 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1AKCNH2
Methylamine SCHEMBL27545014 0.78 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124772-A1 PROCESS FOR PRODUCING ORGANIC TRANSITION METAL COMPLEX COMPOUND, METATHESIS CATALYST PRODUCED BY USING THE SAME, RING-OPENING METATHESIS POLYMER OBTAINABLE WITH THE METATHESIS CATALYST, AND PROCESS FOR PRODUCING THE POLYMER MITSUI CHEMICALS, INC. (JP) 2009-05-14 — — US disclosed
EP-1950216-A1 PROCESS FOR PRODUCING ORGANIC TRANSITION METAL COMPLEX COMPOUND, METATHESIS CATALYST PRODUCED BY THE PROCESS, METATHESIS POLYMER FORMED BY RING OPENING POLYMERIZATION WITH THE SAME, AND PROCESS FOR PRODUCING POLYMER WITH THE SAME Mitsui Chemicals, Inc. (JP) 2008-07-30 — — EP 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-20090124772-A1 PROCESS FOR PRODUCING ORGANIC TRANSITION METAL COMPLEX COMPOUND, METATHESIS CATALYST PRODUCED BY USING THE SAME, RING-OPENING METATHESIS POLYMER OBTAINABLE WITH THE METATHESIS CATALYST, AND PROCESS FOR PRODUCING THE POLYMER PORCN, ICMT, ME1 GABRA1 3379/4885GABRB2 3824/4885TAAR1 4106/4885

“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.

Send feedback