SCHEMBL12736637

SCHEMBL12736637

C=CC1CCC(c2ccc(COC3CCC(c4ccc(OCC)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
NAAA Q02083 1/20 0.39
HTR1A P08908 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
SCHEMBL14766150 0.90 KDM1A (0.44) KDM1ANAAAHTR1A
SCHEMBL12736598 0.90 NAAA (0.35) NAAAHTR1A
SCHEMBL12740207 0.90 NAAA (0.35) NAAAHTR1A
SCHEMBL12736638 0.90 KDM1A (0.39) KDM1ANAAA
SCHEMBL14766440 0.89 NAAA (0.35) KDM1ANAAAHTR1A
SCHEMBL12821327 0.88 KDM1A (0.42) KDM1ANAAAHTR1A
SCHEMBL12736641 0.88 KDM1A (0.42) KDM1ANAAAHTR1A
SCHEMBL14765876 0.88 NAAA (0.35) KDM1ANAAA
SCHEMBL12736633 0.87 KDM1A (0.41) KDM1ANAAAHTR1A
SCHEMBL12716771 0.86 KDM1A (0.39) KDM1A

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 KDM1A 937/4885NAAA 3997/4885HTR1A 484/4885

“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.