SCHEMBL12821270

SCHEMBL12821270

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.36
▸ PTGS2 P35354 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ RET P07949 1/20 0.33
▸ CHKA P35790 1/20 0.32
▸ PPARG P37231 3/20 0.32
▸ PPARD Q03181 3/20 0.32
▸ PPARA Q07869 3/20 0.32
▸ GABRA1 P14867 4/20 0.32
▸ GABRB2 P47870 4/20 0.32
▸ FAAH O00519 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL12822689 1.00 FFAR4 (0.36) FFAR4PTGS2PTGS1S1PR1S1PR3
SCHEMBL10302850 0.91 FFAR4 (0.36) FFAR4S1PR1S1PR3CTSLCTSS
SCHEMBL10303067 0.90 PTGS2 (0.39) FFAR4PTGS2PTGS1S1PR1S1PR3
SCHEMBL1243473 0.89 FFAR4 (0.40) FFAR4S1PR1S1PR3CTSLCTSS
SCHEMBL12716516 0.88 — —
SCHEMBL12821269 0.88 CTSS (0.34) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL12718687 0.88 CTSS (0.34) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL13586170 0.88 FFAR4 (0.35) FFAR4S1PR1S1PR3CTSLCTSS
SCHEMBL12717002 0.88 FFAR4 (0.35) FFAR4S1PR1S1PR3CTSLCTSS
SCHEMBL12717924 0.87 FFAR4 (0.36) FFAR4S1PR1S1PR3CTSLCTSS

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 1 patent. 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

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 FFAR4 546/4885PTGS2 3919/4885PTGS1 4149/4885

“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