SCHEMBL12739722

SCHEMBL12739722

CCOc1ccc(CCC2CCC(c3ccc(C4CCC(C)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
ALDH1A1 P00352 1/20 0.37
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 4/20 0.36
SCN9A Q15858 2/20 0.35
CALM1 P0DP23 2/20 0.34
FFAR4 Q5NUL3 1/20 0.33
HTR6 P50406 1/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 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
SCHEMBL12739711 0.92 KDM1A (0.38) KDM1AALDH1A1HCRTR1HCRTR2CALM1
SCHEMBL12739709 0.92 KDM1A (0.38) KDM1AALDH1A1HCRTR1HCRTR2CALM1
SCHEMBL12739724 0.90 GLA (0.37) SCN9AHTR6
SCHEMBL14766317 0.90 KDM1A (0.37) KDM1AALDH1A1HCRTR1HCRTR2CALM1
SCHEMBL12739720 0.90 KDM1A (0.37) KDM1AALDH1A1HCRTR1HCRTR2CALM1
SCHEMBL14766737 0.90 BACE1 (0.39) KDM1AHCRTR1HCRTR2CALM1
SCHEMBL12739726 0.89 S1PR1 (0.38) SCN9A
SCHEMBL12739714 0.89 KDM1A (0.36) KDM1AHCRTR1HCRTR2CALM1FFAR4
SCHEMBL10303097 0.89 CALM1 (0.41) ALDH1A1CALM1
SCHEMBL12739732 0.89 S1PR1 (0.40) SCN9A

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-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 937/4885ALDH1A1 1480/4885HCRTR1 1060/4885

“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.