SCHEMBL12821709

SCHEMBL12821709

CCOc1ccc(C2CCC(COc3ccc(C4CCC(C(C)O)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.41
▸ FFAR1 O14842 9/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ SCN9A Q15858 4/20 0.35
▸ FPR2 P25090 1/20 0.34
▸ SCN5A Q14524 1/20 0.33
▸ ACACB O00763 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
SCHEMBL13586070 0.93 KDM1A (0.46) KDM1AFPR2ACACB
SCHEMBL12823527 0.91 CNR2 (0.40) FFAR1CNR2SCN9A
SCHEMBL12822791 0.91 CNR2 (0.40) FFAR1CNR2SCN9A
SCHEMBL12735852 0.90 KDM1A (0.44) KDM1ACNR2SCN9AFPR2SCN5A
SCHEMBL12823343 0.90 FFAR1 (0.34) KDM1AFFAR1CNR2SCN9AFPR2
SCHEMBL12821161 0.88 FFAR1 (0.34) FFAR1CNR2SCN9AFPR2SCN5A
SCHEMBL12822621 0.88 FFAR1 (0.43) FFAR1CNR2ACACB
SCHEMBL12823530 0.88 FFAR1 (0.45) FFAR1
SCHEMBL12735836 0.88 KDM1A (0.45) KDM1ACNR2SCN9AFPR2SCN5A
SCHEMBL12716952 0.88 FPR2 (0.36) FFAR1CNR2SCN9AFPR2SCN5A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 937/4885FFAR1 247/4885CNR2 686/4885

“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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