SCHEMBL10303145

SCHEMBL10303145

C=CCCOc1ccc(C2CCC(COc3ccc(C(O)CCC)c(F)c3F)CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.34
▸ ACACB O00763 2/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ SGPL1 O95470 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ CNR2 P34972 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
SCHEMBL10303144 0.97 KDM1A (0.34) KDM1AACACBFFAR4SGPL1S1PR1
SCHEMBL10303123 0.90 KDM1A (0.42) KDM1AACACBSGPL1S1PR1CNR2
SCHEMBL10303177 0.89 KDM1A (0.34) KDM1AACACBFFAR4SGPL1S1PR1
SCHEMBL10303395 0.89 KDM1A (0.34) KDM1A
SCHEMBL12994799 0.88 KDM1A (0.32) KDM1A
SCHEMBL10303122 0.88 CNR2 (0.33) CNR2
SCHEMBL12716695 0.87 ACACB (0.34) ACACBFFAR4
SCHEMBL10303290 0.86 KDM1A (0.35) KDM1A
SCHEMBL10303110 0.85 KDM1A (0.32) KDM1A
SCHEMBL12823148 0.85 CNR2 (0.32) KDM1AACACBFFAR4CNR2

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 549/4885ACACB 3911/4885FFAR4 1669/4885

“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.

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