SCHEMBL10043315

SCHEMBL10043315

CCOc1ccc(C2CCC(C3CC=C(c4ccc(C5CCC(C)CC5)cc4F)CC3)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.33
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
ESR2 Q92731 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CHEK1 O14757 1/20 0.31
CACNA2D1 P54289 2/20 0.30
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SENP8 Q96LD8 1/20 0.30
NLRP3 Q96P20 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
KDM1A O60341 2/20 0.30
DHODH Q02127 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
SCHEMBL10043291 0.90 KDM1A (0.41) FASNALDH1A1KDM1A
SCHEMBL10043102 0.88 FASN (0.34) FASN
SCHEMBL15061066 0.88 RAB9A (0.33) HRH3NPC1CASP3RAB9ASENP8
SCHEMBL12975965 0.87 FASN (0.35) FASNESR2
SCHEMBL10043095 0.85 FASN (0.35) FASNESR2
SCHEMBL12975880 0.85 FASN (0.35) FASNESR2
SCHEMBL10072012 0.85 MCHR1 (0.32)
SCHEMBL12975952 0.85 FASN (0.36) FASNESR2
SCHEMBL10043142 0.84 KDM1A (0.41) FASNALDH1A1KDM1A
SCHEMBL10043331 0.83 KDM1A (0.42) FASNESR2ALDH1A1KDM1A

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 FASN 1950/4885SLC5A1 3835/4885SLC5A2 4243/4885

“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.