SCHEMBL12822809

SCHEMBL12822809

C=CCCOc1ccc(OCC2CCC(c3ccc(C4CCC(C(C)O)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.34
▸ FFAR1 O14842 7/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ ACACB O00763 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
SCHEMBL12822788 1.00 CNR2 (0.34) CNR2FFAR1ALOX5APFEN1CNR1
SCHEMBL12716081 0.94 KDM4E (0.32) ALOX5APFEN1ACACB
SCHEMBL12821161 0.92 FFAR1 (0.34) CNR2FFAR1ACACB
SCHEMBL12823150 0.91 FFAR1 (0.39) FFAR1ACACB
SCHEMBL12822345 0.90 HTR2C (0.36) CNR2FFAR1
SCHEMBL12822793 0.90 HTR2C (0.36) CNR2FFAR1
SCHEMBL10303105 0.89 CNR2 (0.33) CNR2FFAR1ALOX5APFEN1CNR1
SCHEMBL12823536 0.89 FFAR1 (0.42) FFAR1ACACB
SCHEMBL12822350 0.89 FFAR1 (0.40) FFAR1ACACB
SCHEMBL12822971 0.88 CNR2 (0.34) CNR2FFAR1ALOX5APFEN1CNR1

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-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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO 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 CNR2 686/4885FFAR1 247/4885ALOX5AP 1673/4885

“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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