SCHEMBL12822834

SCHEMBL12822834

C=CCOc1ccc(-c2ccc(CCc3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.33
▸ CTSS P25774 2/20 0.32
▸ CTSK P43235 2/20 0.32
▸ CTSL P07711 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ LTA4H P09960 1/20 0.30
▸ CYP17A1 P05093 1/20 0.30
▸ ERN1 O75460 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ AAK1 Q2M2I8 1/20 0.30
▸ FFAR1 O14842 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 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
SCHEMBL12821269 0.91 CTSS (0.34) CTSSCTSKCTSLLMNAALDH1A1
SCHEMBL12718687 0.91 CTSS (0.34) CTSSCTSKCTSLLMNAALDH1A1
SCHEMBL12822932 0.91 S1PR1 (0.35) S1PR1AAK1
SCHEMBL12718848 0.90 LTA4H (0.35) S1PR1LMNAALDH1A1CYP2D6LTA4H
SCHEMBL12823624 0.89 GRIN2B (0.32) S1PR1CTSSCTSKCTSLCYP17A1
SCHEMBL12735665 0.87 FFAR4 (0.36) S1PR1CTSSCTSKCTSLLMNA
SCHEMBL12823285 0.87 MGAM (0.35) CTSSCTSKCYP2D6FFAR1
SCHEMBL12716825 0.87 ERN1 (0.39) LMNAALDH1A1CYP2D6CYP17A1ERN1
SCHEMBL10303038 0.87 LMNA (0.34) CTSSCTSKLMNAALDH1A1CYP2D6
SCHEMBL10302989 0.86 LMNA (0.35) S1PR1LMNAALDH1A1CYP2D6LTA4H

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 S1PR1 1190/4885CTSS 1879/4885CTSK 2052/4885

“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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