SCHEMBL12433688

SCHEMBL12433688

CCCCCC1CCC(c2ccc(CCc3cc(F)c(OCC)cc3C)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.40
KDM1A O60341 2/20 0.37
SPHK2 Q9NRA0 7/20 0.36
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL12433602 0.85 KDM1A (0.36) KDM1A
SCHEMBL12433705 0.85 SPHK1 (0.40) SPHK1SPHK2CYP2C9MEN1KMT2A
SCHEMBL12433814 0.84 SPHK1 (0.40) SPHK1SPHK2CYP2C9MEN1KMT2A
SCHEMBL9405806 0.83 SPHK1 (0.43) SPHK1SPHK2CYP2C9MEN1KMT2A
SCHEMBL9405809 0.83 SPHK1 (0.43) SPHK1SPHK2CYP2C9MEN1KMT2A
SCHEMBL12433748 0.81 SPHK1 (0.38) SPHK1SPHK2CYP2C9MEN1KMT2A
SCHEMBL22277577 0.81 SPHK1 (0.40) SPHK1SPHK2CYP2C9
SCHEMBL13235354 0.80 SPHK1 (0.40) SPHK1SPHK2CYP2C9MEN1KMT2A
SCHEMBL13235314 0.80 SPHK1 (0.40) SPHK1SPHK2CYP2C9
SCHEMBL9252662 0.80 SPHK1 (0.45) SPHK1SPHK2CYP2C9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981486-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition JNC CORPORATION (JP) 2011-07-19 US disclosed
US-7846513-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2010-12-07 US disclosed
US-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 2009-09-17 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-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION BRD1, CNOT1, CXCR1 SPHK1 3548/4885KDM1A 436/4885SPHK2 3638/4885

“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.