SCHEMBL12738826

SCHEMBL12738826

C/C=C/c1cnc(-c2ccc(CCc3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2F)nc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.35
▸ S1PR3 Q99500 3/20 0.35
▸ FGFR2 P21802 2/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32
▸ CHKA P35790 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
SCHEMBL12735559 0.90 CTSL (0.36) S1PR1S1PR3FGFR2FGFR1CTSL
SCHEMBL12740097 0.90 CTSL (0.36) S1PR1S1PR3FGFR2FGFR1CTSL
SCHEMBL12738814 0.88 S1PR1 (0.37) S1PR1S1PR3FGFR2FGFR1CTSL
SCHEMBL1243473 0.85 FFAR4 (0.40) S1PR1S1PR3FGFR2FGFR1CTSL
SCHEMBL10301923 0.84 CTSL (0.35) S1PR1S1PR3FGFR2FGFR1CTSL
SCHEMBL12738819 0.84 RAB9A (0.41) S1PR1S1PR3FGFR2FGFR1
SCHEMBL10302005 0.83 TUBB1 (0.40) FGFR2FGFR1FFAR4
SCHEMBL12735649 0.82 NAAA (0.38) S1PR1CTSLCTSSCTSKFFAR4
SCHEMBL12717240 0.81 FFAR4 (0.39) S1PR1S1PR3FGFR2FGFR1CTSL
SCHEMBL12740090 0.81 FFAR4 (0.39) S1PR1S1PR3FGFR2FGFR1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
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 1190/4885S1PR3 757/4885FGFR2 159/4885

“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.

Send feedback