SCHEMBL431987

SCHEMBL431987

C=CC(OC(C=C)c1ccccc1Br)c1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
ESR1 P03372 1/20 0.30

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
SCHEMBL28448111 0.75 IDO1 (0.39) IDO1TDO2CYP2C9ALDH1A1CYP3A4
SCHEMBL7492439 0.75 ESR1 (0.54) CYP2C19CYP2C9ALDH1A1CYP3A4HTT
SCHEMBL9252331 0.75 IDO1 (0.40) IDO1TDO2CYP2C19CYP2C9ALDH1A1
SCHEMBL8634592 0.75 ALOX15 (0.36) ALDH1A1CYP3A4ALOX15ESR1
SCHEMBL60173 0.75 ALDH1A1 (0.40) ALDH1A1ESR1
SCHEMBL28899530 0.75 ESR1 (0.34) ESR1
SCHEMBL6120023 0.75 APLNR (0.32) IDO1TDO2CYP2C19ALDH1A1CYP3A4
SCHEMBL7776205 0.73 CA1 (0.46) IDO1TDO2CYP2C19ALDH1A1CYP3A4
SCHEMBL755423 0.73
SCHEMBL2068749 0.72 IDO1 (0.36) IDO1TDO2CYP2C19CYP2C9ALDH1A1

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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
CN-101048414-B Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD 2011-09-07 CN disclosed
CN-101048414-A Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD (GB) 2007-10-03 CN disclosed
EP-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 WO disclosed
EP-1127917-B1 Flame-retardant thermoplastic resin composition AJINOMOTO KK (JP) 2005-11-30 EP disclosed
US-6500889-B2 BROMINATED FLAME RETARDANT, DOLOMITE AND ONE OF: HYDROTALCITE, ZINC-SUBSTITUTED HYDROTALCITE, OR ZEOLITE; HEAT STABILIZING AJINOMOTO CO., INC. (JP) 2002-12-31 US disclosed
US-20010044488-A1 Flame-retarded thermoplastic resin composition AJINOMOTO CO. INC. (JP) 2001-11-22 US disclosed
EP-1127917-A1 Flame-retardant thermoplastic resin composition Ajinomoto Co., Inc. (JP) 2001-08-29 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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE IDO1 1800/4885TDO2 2905/4885CYP2C19 350/4885

“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.