SCHEMBL17017036

SCHEMBL17017036

CCOc1ccc(OCc2ccc(-c3ccc(-c4ccc(/C=C(/C)F)cc4)cc3)cc2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.44
▸ TACR2 P21452 1/20 0.43
▸ LMNA P02545 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MITF O75030 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PKM P14618 2/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ FFAR1 O14842 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
SCHEMBL17017015 0.85 RXRA (0.34) GAAKDM4EMAPTKMT2APKM
SCHEMBL17016777 0.83 KMT2A (0.36) GAALMNAKDM4EALDH1A1MAPT
SCHEMBL17017055 0.82 HPGD (0.41) GAAKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL17016962 0.82 GAA (0.38) GAATACR2LMNAKDM4EALDH1A1
SCHEMBL17021100 0.82 GAA (0.38) GAATACR2LMNAKDM4EALDH1A1
SCHEMBL18307207 0.79 TACR2 (0.41) GAATACR2LMNAKDM4EALDH1A1
SCHEMBL18307184 0.77 TACR2 (0.40) GAATACR2KDM4EALDH1A1MAPT
SCHEMBL19189443 0.76 APP (0.47) LMNAKDM4EALDH1A1MAPTFFAR1
SCHEMBL1243355 0.75 HTR1A (0.42) GAATACR2KDM4EALDH1A1MAPT
SCHEMBL17016848 0.75 GAA (0.38) GAATACR2LMNAKDM4EALDH1A1

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 GAA 4682/4885TACR2 3359/4885LMNA 369/4885

“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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