SCHEMBL9195243

SCHEMBL9195243

C=CCc1ccc(-c2ccc(O)c(CC=C)c2)cc1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.85
GABRB2 P47870 8/20 0.85
CNR2 P34972 4/20 0.61
CNR1 P21554 3/20 0.61
POLB P06746 2/20 0.61
ALOX5 P09917 2/20 0.61
MEN1 O00255 2/20 0.61
GAA P10253 2/20 0.61
MAPT P10636 2/20 0.61
KMT2A Q03164 2/20 0.61
GABRB1 P18505 1/20 0.61
RXRA P19793 1/20 0.61
GABRA5 P31644 1/20 0.61
GABRA3 P34903 1/20 0.61
GABRA2 P47869 1/20 0.61
ACE2 Q9BYF1 1/20 0.61
SIRT3 Q9NTG7 1/20 0.61
AKR1B1 P15121 2/20 0.59
XDH P47989 2/20 0.44
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL29892631 0.92 GABRA1 (1.00) GABRA1GABRB2CNR2CNR1POLB
SCHEMBL252293 0.92 GABRA1 (1.00) GABRA1GABRB2CNR2CNR1POLB
SCHEMBL9311059 0.89 GABRA1 (0.92) GABRA1GABRB2CNR2CNR1POLB
SCHEMBL11496853 0.85 GABRA1 (0.85) GABRA1GABRB2CNR2CNR1POLB
SCHEMBL15815290 0.85 GABRA1 (0.85) GABRA1GABRB2CNR2CNR1POLB
SCHEMBL23999230 0.84 GABRA1 (0.82) GABRA1GABRB2CNR2CNR1POLB
SCHEMBL2185735 0.84 GABRA1 (0.82) GABRA1GABRB2CNR2CNR1POLB
SCHEMBL3301299 0.84 GABRA1 (0.59) GABRA1GABRB2CNR2CNR1POLB
SCHEMBL9776648 0.78 GABRA1 (0.72) GABRA1GABRB2CNR2CNR1POLB
SCHEMBL13978612 0.78 GABRA1 (0.72) GABRA1GABRB2CNR2CNR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0681571-A1 SPIRO-SUBSTITUTED AZACYCLES AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-11-15 EP claimed
WO-1994017045-A1 SPIRO-SUBSTITUTED AZACYCLES AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-08-04 WO claimed
US-20130303788-A1 METHOD OF PRODUCING BIPHENOLIC COMPOUND, NOVEL BIPHENYL COMPOUND AND SYNTHESIS METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR TREATING PARKINSON'S DISEASE TZU CHI UNIVERSITY (TW) 2013-11-14 US disclosed
EP-0382213-B1 Biphenyl derivative, nerve cell degeneration repairing or protecting agent and process for preparing a phenyl derivative contained in the agent OTSUKA PHARMA CO LTD (JP) 1995-05-10 EP disclosed
US-5053548-A Containing hydroxy substituents; nervous system disorders OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-10-01 US disclosed
EP-0382213-A2 Biphenyl derivative, nerve cell degeneration repairing or protecting agent and process for preparing a phenyl derivative contained in the agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 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-20130303788-A1 METHOD OF PRODUCING BIPHENOLIC COMPOUND, NOVEL BIPHENYL COMPOUND AND SYNTHESIS METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR TREATING PARKINSON'S DISEASE PARK7, DBH, SNCA GABRA1 625/4885GABRB2 392/4885CNR2 148/4885

“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.