SCHEMBL3480966

SCHEMBL3480966

CCCc1ccc(C2CCC(C3CCC(=COC)CC3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.42
SPHK2 Q9NRA0 7/20 0.37
ESR2 Q92731 1/20 0.35
DRD2 P14416 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
SCHEMBL11894649 0.92 SPHK1 (0.42) SPHK1SPHK2ESR2DRD2
SCHEMBL10895877 0.82 SPHK1 (0.56) SPHK1SPHK2DRD2
SCHEMBL11066946 0.82 SPHK1 (0.56) SPHK1SPHK2DRD2
SCHEMBL21398391 0.82 SPHK1 (0.56) SPHK1SPHK2ESR2
SCHEMBL8038554 0.80 DRD2 (0.39) ESR2DRD2
SCHEMBL2384867 0.79 CYP2C9 (0.42) SPHK1SPHK2ESR2
SCHEMBL3480904 0.79 SPHK1 (0.47) SPHK1SPHK2ESR2
SCHEMBL14403054 0.77 ESR2 (0.44) ESR2DRD2
SCHEMBL4323763 0.77 SPHK1 (0.61) SPHK1SPHK2DRD2
SCHEMBL8731338 0.77 GRIA1 (0.38) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273264-B2 Liquid-crystal compounds and LC media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-25 US disclosed
US-8273264-B2 Liquid-crystal compounds and LC media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-25 US disclosed
US-8273264-B2 Liquid-crystal compounds and LC media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-25 US disclosed
EP-2208775-B1 Liquid crystalline compound and liquid crystalline medium MERCK PATENT GMBH (DE) 2012-07-25 EP disclosed
EP-2208775-B1 Liquid crystalline compound and liquid crystalline medium MERCK PATENT GMBH (DE) 2012-07-25 EP disclosed
US-20100181533-A1 Liquid-crystal compounds and LC media MERCK KGAA (DE) 2010-07-22 US disclosed
US-20100181533-A1 Liquid-crystal compounds and LC media MERCK KGAA (DE) 2010-07-22 US disclosed
US-20100181533-A1 Liquid-crystal compounds and LC media MERCK KGAA (DE) 2010-07-22 US disclosed
EP-2208775-A1 Liquid crystal compounds and FK media Merck Patent GmbH (DE) 2010-07-21 EP disclosed
EP-2208775-A1 Liquid crystal compounds and FK media Merck Patent GmbH (DE) 2010-07-21 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-20100181533-A1 Liquid-crystal compounds and LC media VCL, LCT, NEFM SPHK1 1137/4885SPHK2 1549/4885ESR2 3177/4885

“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.