SCHEMBL3480720

SCHEMBL3480720

CCCc1ccc(C2CCC(C3CCC4(CC3)OCCO4)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.43
SPHK2 Q9NRA0 7/20 0.38
C5AR1 P21730 1/20 0.36
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 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
SCHEMBL8451083 0.91 SPHK1 (0.43) SPHK1SPHK2C5AR1MEN1ALDH1A1
SCHEMBL15048455 0.89 PDE10A (0.36) SPHK1SPHK2C5AR1ALDH1A1
SCHEMBL10043067 0.89 PDE10A (0.36) SPHK1SPHK2C5AR1ALDH1A1
SCHEMBL11066946 0.83 SPHK1 (0.56) SPHK1SPHK2
SCHEMBL10895877 0.83 SPHK1 (0.56) SPHK1SPHK2
SCHEMBL19755040 0.82 SPHK1 (0.57) SPHK1SPHK2ALDH1A1
SCHEMBL18251916 0.81 L3MBTL1 (0.39) ALDH1A1
SCHEMBL18255379 0.80 RAB9A (0.48) ALDH1A1
SCHEMBL3480740 0.80 OPRL1 (0.44) C5AR1MEN1ALDH1A1KMT2A
SCHEMBL2383114 0.78 CYP2C9 (0.43) SPHK1SPHK2C5AR1MEN1ALDH1A1

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 1549/4885C5AR1 707/4885

“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.