SCHEMBL10043301

SCHEMBL10043301

CCOc1ccc(C2CCC(C3CCC(c4ccc(C5CCC(C)CC5)cc4F)CC3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HRH3 Q9Y5N1 2/20 0.35
KDM1A O60341 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
NQO1 P15559 1/20 0.34
RAB9A P51151 1/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
SLC6A4 P31645 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CACNA2D1 P54289 1/20 0.33

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
SCHEMBL10043132 0.88 KDM1A (0.49) ESR2ALDH1A1KDM1A
SCHEMBL10043280 0.88 KDM1A (0.49) ESR2ALDH1A1KDM1A
SCHEMBL20118136 0.85 ESR2 (0.49) ESR2ALDH1A1HRH3NQO1RAB9A
SCHEMBL20312881 0.85 ESR2 (0.44) ESR2
SCHEMBL18440774 0.85 ESR2 (0.44) ESR2
SCHEMBL739154 0.85 ESR2 (0.44) ESR2
SCHEMBL12917796 0.85 ESR2 (0.44) ESR2
SCHEMBL15061086 0.85 RAB9A (0.38) HRH3KDM1ARAB9ASLC6A4
SCHEMBL10043094 0.85 GPR119 (0.37) ESR2KDM1A
SCHEMBL12975963 0.84 ESR2 (0.40) ESR2

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 ESR2 2435/4885ALDH1A1 1115/4885HRH3 727/4885

“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.