SCHEMBL12738795

SCHEMBL12738795

CCc1ccc(-c2ccc(CCc3ccc(-c4ccc(C)cn4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.41
▸ FEN1 P39748 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ TP53 P04637 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ CCR1 P32246 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ AURKA O14965 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ CSF1R P07333 1/20 0.34

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
SCHEMBL12718449 0.88 SMN1; SMN2 (0.45) FEN1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL12740075 0.86 FFAR4 (0.39) PTGS2FFAR4FFAR1CYP2A6CHKA
SCHEMBL12735522 0.86 FFAR4 (0.39) PTGS2FFAR4FFAR1CYP2A6CHKA
SCHEMBL9419246 0.86 CCR1 (0.47) PTGS2FEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12738800 0.82 RAB9A (0.42) FEN1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL9419245 0.81 CCR1 (0.44) PTGS2FEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12011031 0.80 CHKA (0.42) PTGS2FFAR4FFAR1CYP2A6CHKA
SCHEMBL10301911 0.79 CHKA (0.38) PTGS2FFAR4FFAR1CHKA
SCHEMBL12735528 0.79 CTSL (0.40) CHKA
SCHEMBL12740082 0.79 CTSL (0.40) CHKA

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 5 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
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 PTGS2 3919/4885FEN1 3340/4885NPC1 1631/4885

“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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