SCHEMBL12738818

SCHEMBL12738818

CCCc1ccc(-c2ccc(CCc3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2F)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.42
▸ RAB9A P51151 7/20 0.42
▸ NPC1 O15118 6/20 0.42
▸ TP53 P04637 3/20 0.42
▸ PKM P14618 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPT P10636 4/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ DGAT1 O75907 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KLF5 Q13887 1/20 0.35
▸ CTSL P07711 1/20 0.35

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
SCHEMBL12735553 0.90 CTSL (0.41) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL12740092 0.90 CTSL (0.41) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL12718449 0.89 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL10301920 0.87 CTSL (0.44) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL12738808 0.87 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL12738823 0.86 DGAT1 (0.35) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL1243473 0.86 FFAR4 (0.40) CTSLCTSSCTSKMAPK1GABRA1
SCHEMBL12738812 0.85 CASP3 (0.50) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL10091128 0.85 CTSL (0.40) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL21869910 0.84 CNR2 (0.39) SMN1; SMN2RAB9AMAPTL3MBTL1CTSL

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 SMN1; SMN2 3745/4885RAB9A 972/4885NPC1 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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