SCHEMBL17016777

SCHEMBL17016777

CCOc1ccc(-c2ccc(/C=C(/C)F)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ FGFR2 P21802 2/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ TUBB1 Q9H4B7 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ STK17B O94768 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL17016781 0.89 KMT2A (0.36) KMT2AKDM4EGAAFGFR2FGFR1
SCHEMBL17016780 0.86 KMT2A (0.34) KMT2AKDM4EGAAFGFR2FGFR1
SCHEMBL17017036 0.83 GAA (0.44) KMT2AKDM4EGAAALDH1A1MEN1
SCHEMBL17016785 0.82 FFAR4 (0.33) KMT2AKDM4EGAAFGFR2FGFR1
SCHEMBL1242705 0.81 DRD1 (0.48) KMT2AKDM4EGAAFGFR2FGFR1
SCHEMBL23870623 0.79 TUBB1 (0.39) KMT2AKDM4EGAAFGFR2FGFR1
SCHEMBL22269634 0.79 DRD1 (0.47) KMT2AKDM4EGAAFGFR2FGFR1
SCHEMBL17016797 0.79 HPGD (0.33) KDM4EFGFR2FGFR1TUBB1ALDH1A1
SCHEMBL17017055 0.79 HPGD (0.41) KMT2AKDM4EGAAALDH1A1MEN1
SCHEMBL17017015 0.79 RXRA (0.34) KMT2AKDM4EGAATUBB1MEN1

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 KMT2A 1895/4885KDM4E 2306/4885GAA 4682/4885

“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