SCHEMBL4064818

SCHEMBL4064818

CCOCCOc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
RARB P10826 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
THRA P10827 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
NCF1 P14598 2/20 0.44
TSHR P16473 1/20 0.44
CHRNA7 P36544 1/20 0.44
MAOB P27338 2/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NQO1 P15559 1/20 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
SCHEMBL3631389 0.94 KDM4E (0.50) KDM4EALDH1A1THRADRD2DRD4
SCHEMBL4059613 0.92 RARB (0.53) RARBKDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL11134859 0.87 RARB (0.54) HRH2HRH1RARBKDM4EALDH1A1
SCHEMBL7928194 0.86 DRD4 (0.50) KDM4EALDH1A1THRADRD2DRD4
SCHEMBL4053878 0.86 RARB (0.53) RARBKDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL4061378 0.85 NQO1 (0.57) RARBKDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL4061901 0.85 CHRNB2 (0.57) RARBKDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL15250523 0.85 RARB (0.47) RARBKDM4ECYP3A4CYP2D6THRA
SCHEMBL15250560 0.85 MCHR1 (0.51) HRH2HRH1RARBKDM4EALDH1A1
SCHEMBL9155411 0.84 MAPT (0.55) HRH2HRH1RARBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
EP-1375463-A1 OPTICALLY ACTIVE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Kansai Research Institute, Inc. (JP) 2004-01-02 EP disclosed
US-20030211421-A1 Optically active compound and photosensitive resin composition KRI, INC. (JP) 2003-11-13 US disclosed
EP-0427166-B1 Ester compounds and liquid crystal compositions containing the same JAPAN ENERGY CORP (JP) 1994-06-22 EP disclosed
US-5211879-A ESTER COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME NIPPON MINING CO., LTD. (JP) 1993-05-18 US disclosed
EP-0427166-A1 Ester compounds and liquid crystal compositions containing the same JAPAN ENERGY CORPORATION (JP) 1991-05-15 EP disclosed
US-4374748-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1983-02-22 US disclosed
EP-0047453-A1 4'-(Beta-alkyloxyethoxy)-4-cyanobiphenyl Chisso Corporation (JP) 1982-03-17 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-20030211421-A1 Optically active compound and photosensitive resin composition ARCN1, RAD51, PAM HRH2 198/4885HRH1 234/4885RARB 142/4885

“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.