SCHEMBL10301615

SCHEMBL10301615

CCCc1ccc(C2CCC(c3ccc(OCC)c(F)c3F)CC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
PPARG P37231 9/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
PDE4A P27815 2/20 0.33
FPR2 P25090 3/20 0.33
NAAA Q02083 1/20 0.33
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
KLKB1 P03952 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
SCHEMBL15381590 0.93 KDM1A (0.42) KDM1APDE4AFPR2NAAAKDM5A
SCHEMBL10301616 0.92 KDM1A (0.40) KDM1APDE4A
SCHEMBL10301614 0.90 KDM1A (0.44) KDM1APDE4AFPR2NAAAKDM5A
SCHEMBL15381494 0.90 KDM1A (0.39) KDM1APPARGPPARDPPARAPDE4A
SCHEMBL15381806 0.89 KDM1A (0.43) KDM1APDE4AFPR2NAAAKDM5A
SCHEMBL12735818 0.88 SCN9A (0.33) KDM1APPARGPPARDPPARAFPR2
SCHEMBL10301620 0.88 KDM1A (0.42) KDM1APDE4AFPR2NAAAKDM5A
SCHEMBL15381796 0.88 KDM1A (0.39) KDM1APPARGPPARDPPARAPDE4A
SCHEMBL11933402 0.88 KDM1A (0.39) KDM1APDE4AFPR2NAAAKDM5A
SCHEMBL18175644 0.87 KDM1A (0.37) KDM1APPARGPPARDPPARAPDE4A

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 4 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-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
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 KDM1A 549/4885PPARG 4141/4885PPARD 3874/4885

“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.