SCHEMBL1509995

SCHEMBL1509995

CCCC1CCC(C2CCC(C=Cc3ccc(OCC)c(F)c3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 5/20 0.44
KDM1A O60341 2/20 0.38
TNFRSF1A P19438 1/20 0.37
HPGD P15428 4/20 0.36
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
BRD4 O60885 1/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
FFAR1 O14842 1/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 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
SCHEMBL1509998 1.00 TUBB1 (0.44) TUBB1KDM1ATNFRSF1AHPGDALDH1A1
SCHEMBL12739044 0.88 TUBB1 (0.40) TUBB1KDM1ATNFRSF1AHPGDALDH1A1
SCHEMBL10345136 0.86 NFE2L2 (0.39)
SCHEMBL10345140 0.86 NFE2L2 (0.39)
SCHEMBL10345137 0.86 NFE2L2 (0.39)
SCHEMBL10345138 0.86 NFE2L2 (0.39)
SCHEMBL8748052 0.83 PDE2A (0.36) TUBB1HPGDALDH1A1MAPTHTT
SCHEMBL8748056 0.83 PDE2A (0.36) TUBB1HPGDALDH1A1MAPTHTT
SCHEMBL8028330 0.83 PDE2A (0.36) TUBB1HPGDALDH1A1MAPTHTT
SCHEMBL8834216 0.82 RECQL (0.31) TUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731493-B1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2011-03-23 EP disclosed
US-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 US disclosed
EP-1731493-A1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 2006-12-13 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-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device CCND2, YBX1, CNKSR1 TUBB1 3017/4885KDM1A 1661/4885TNFRSF1A 2028/4885

“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.