SCHEMBL10301616

SCHEMBL10301616

CCCCCc1ccc(C2CCC(c3ccc(OCC)c(F)c3F)CC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
SPHK1 Q9NYA1 7/20 0.36
CNR2 P34972 6/20 0.33
CNR1 P21554 3/20 0.33
SCN9A Q15858 1/20 0.33
TSHR P16473 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
SPHK2 Q9NRA0 3/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 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
SCHEMBL10301615 0.92 KDM1A (0.42) KDM1APDE4A
SCHEMBL15381494 0.91 KDM1A (0.39) KDM1ASCN9APDE4APDE4BPDE4C
SCHEMBL10301613 0.91 SLC6A2 (0.37) KDM1ASPHK1CNR2CNR1PDE4A
SCHEMBL18175644 0.91 KDM1A (0.37) KDM1ASPHK1CNR2CNR1SCN9A
SCHEMBL15381590 0.90 KDM1A (0.42) KDM1APDE4A
SCHEMBL15381796 0.89 KDM1A (0.39) KDM1ASCN9APDE4APDE4BPDE4C
SCHEMBL18175659 0.88 SCN9A (0.36) KDM1ASPHK1CNR2CNR1SCN9A
SCHEMBL12735831 0.88 CYP2C9 (0.33) KDM1ASPHK1CNR2CNR1SCN9A
SCHEMBL18175648 0.87 KDM1A (0.37) KDM1ACNR2CNR1SCN9APDE4A
SCHEMBL10301614 0.87 KDM1A (0.44) KDM1ATSHRPDE4A

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-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 KDM1A 549/4885SPHK1 2309/4885CNR2 2145/4885

“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.