SCHEMBL20111510

SCHEMBL20111510

COc1ccc2c(c1F)-c1c-2cc(C2CCC(C)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.32
FEN1 P39748 4/20 0.32
HTR7 P34969 1/20 0.32
CCNT1 O60563 2/20 0.31
CDK9 P50750 2/20 0.31
NR1I2 O75469 1/20 0.31
CYP17A1 P05093 1/20 0.31
HTR2C P28335 1/20 0.31
NR3C1 P04150 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL20117597 0.86 ALDH1A1 (0.34)
SCHEMBL20117893 0.84 ESR2 (0.32)
SCHEMBL20111307 0.84 ALOX5AP (0.34) ALOX5APFEN1HTR7CYP17A1
SCHEMBL20102419 0.84 ALDH1A1 (0.38) CCNT1CDK9HTR2CMAPK1
SCHEMBL20111545 0.82 ESR2 (0.30)
SCHEMBL20117743 0.81
SCHEMBL10035142 0.80 ALOX5AP (0.36) ALOX5APFEN1HTR2C
SCHEMBL16922997 0.80 ALOX5AP (0.36) ALOX5APFEN1HTR2C
SCHEMBL20102453 0.80 KDM1A (0.36) HTR2CTSHR
SCHEMBL170527 0.79 HTR2C (0.37) ALOX5APFEN1HTR2CNR3C1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-06-18 US disclosed
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 US disclosed
EP-3315583-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-05-02 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 (2 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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S ALOX5AP 2002/4885FEN1 1547/4885HTR7 1464/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S ALOX5AP 2002/4885FEN1 1547/4885HTR7 1464/4885

“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.