SCHEMBL12821269

SCHEMBL12821269

C=CCOc1ccc(-c2ccc(CCc3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.34
▸ CTSK P43235 2/20 0.34
▸ CTSL P07711 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ CYP2D6 P10635 4/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ GABRA1 P14867 2/20 0.31
▸ GABRB2 P47870 2/20 0.31
▸ SLC22A1 O15245 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ HTR2C P28335 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
SCHEMBL12718687 1.00 CTSS (0.34) CTSSCTSKCTSLLMNACYP2D6
SCHEMBL12822834 0.91 S1PR1 (0.33) CTSSCTSKCTSLLMNACYP2D6
SCHEMBL10303038 0.91 LMNA (0.34) CTSSCTSKLMNACYP2D6ALDH1A1
SCHEMBL10303007 0.91 LMNA (0.37) CTSSCTSKCTSLLMNACYP2D6
SCHEMBL12823453 0.90 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL12823088 0.90 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL12822675 0.88 CTSS (0.32) CTSSCTSKCTSLLMNACYP2D6
SCHEMBL12822689 0.88 FFAR4 (0.36) CTSSCTSKCTSLMEN1KMT2A
SCHEMBL12821270 0.88 FFAR4 (0.36) CTSSCTSKCTSLMEN1KMT2A
SCHEMBL12717326 0.87 LMNA (0.35) LMNACYP2D6ALDH1A1MEN1KMT2A

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 CTSS 1879/4885CTSK 2052/4885CTSL 3010/4885

“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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