SCHEMBL17017067

SCHEMBL17017067

CCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(-c4ccc(/C=C/CF)cc4)cc3)cc2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ PRSS1 P07477 1/20 0.39
▸ ACR P10323 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ PPARD Q03181 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ RARB P10826 3/20 0.36
▸ MAOB P27338 1/20 0.36

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
SCHEMBL9457633 0.83 NPC1 (0.57) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9477526 0.83 NPC1 (0.57) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9406028 0.83 NPC1 (0.57) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9406219 0.83 NPC1 (0.57) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9406307 0.83 NPC1 (0.57) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL17017025 0.83 S1PR1 (0.36) CYP3A4CYP2D6SMN1; SMN2PPARDRARB
SCHEMBL17017057 0.82 PTPN2 (0.39) CYP3A4CYP2D6PPARDPTPN11
SCHEMBL14766045 0.81 MAPT (0.48) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL14767282 0.81 MAPT (0.48) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL8449005 0.81 LMNA (0.49) LMNANPC1CYP1A2CYP2C9CYP2C19

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-9404040-B2 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-08-02 — — US disclosed
US-9404040-B2 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-08-02 — — US disclosed
US-20150232759-A1 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-08-20 — — US disclosed
US-20150232759-A1 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-08-20 — — 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-20150232759-A1 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device PYM1, CXCR1, LEO1 LMNA 369/4885NPC1 475/4885CYP1A2 1316/4885

“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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