SCHEMBL10043331

SCHEMBL10043331

CCOc1ccc(C2CCC(C3CC=C(c4ccc(C5CCC(C)CC5)cc4)CC3)CC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
FASN P49327 1/20 0.32
NAAA Q02083 1/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 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
SCHEMBL10043291 0.91 KDM1A (0.41) KDM1AFASNALDH1A1CCNT1CDK9
SCHEMBL10043321 0.87 KDM1A (0.53) KDM1AFASNNAAAESR2ALDH1A1
SCHEMBL10043107 0.87 KDM1A (0.53) KDM1AFASNNAAAESR2ALDH1A1
SCHEMBL15061092 0.87 KDM1A (0.38) KDM1ANAAACCNT1CDK9
SCHEMBL22622838 0.86 KDM1A (0.55) KDM1AFASNNAAAESR2ALDH1A1
SCHEMBL10072171 0.85 KDM1A (0.37) KDM1A
SCHEMBL10043142 0.85 KDM1A (0.41) KDM1AFASNALDH1A1
SCHEMBL12975808 0.84 FASN (0.35) FASNESR2
SCHEMBL10043315 0.83 FASN (0.33) KDM1AFASNESR2ALDH1A1
SCHEMBL12716160 0.82 KDM1A (0.58) KDM1AFASNNAAAESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470199-B2 Five-ring liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-06-25 US disclosed
US-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-03-29 US 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-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE HTR3D, KIF23, CCND3 KDM1A 821/4885FASN 1950/4885NAAA 4215/4885

“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.