SCHEMBL12716840

SCHEMBL12716840

C=CCCOc1ccc(-c2ccc(COc3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ FFAR1 O14842 3/20 0.33
▸ GABRA1 P14867 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CTSA P10619 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ NAAA Q02083 1/20 0.30
▸ S1PR5 Q9H228 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
SCHEMBL12717067 0.96 S1PR1 (0.36) FAAHS1PR1ERN1FFAR1GABRA1
SCHEMBL10303094 0.95 FFAR1 (0.35) FAAHS1PR1ERN1FFAR1GABRA1
SCHEMBL12823066 0.94 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1
SCHEMBL12823181 0.94 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1
SCHEMBL10303187 0.91 FFAR1 (0.35) FAAHS1PR1ERN1FFAR1GABRA1
SCHEMBL12823606 0.90 FFAR1 (0.36) S1PR1FFAR1PPARD
SCHEMBL12823600 0.90 FFAR1 (0.36) FFAR1CNR2PPARDCNR1
SCHEMBL12822939 0.90 CNR2 (0.35) GABRA1GABRB2CNR2CNR1ALOX5
SCHEMBL12823288 0.90 CNR2 (0.35) GABRA1GABRB2CNR2CNR1ALOX5
SCHEMBL12717207 0.89 ERN1 (0.36) FAAHS1PR1ERN1FFAR1GABRA1

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 3 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
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 — — EP 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 FAAH 725/4885S1PR1 1190/4885ERN1 1334/4885

“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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