SCHEMBL12740943

SCHEMBL12740943

C/C=C/c1ccc(-c2ccc(-c3ccc(COc4ccc(OCC)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 1/20 0.41
▸ GAA P10253 3/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ PKM P14618 1/20 0.38
▸ NTSR1 P30989 1/20 0.38
▸ FFAR4 Q5NUL3 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ PTPN2 P17706 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
SCHEMBL12736498 1.00 TACR2 (0.41) TACR2GAAKDM4ELMNAMAPT
SCHEMBL12717072 0.92 FFAR1 (0.40) TACR2GAAKDM4ELMNAMAPT
SCHEMBL23870623 0.92 TUBB1 (0.39) GAAKDM4ELMNAMAPTALDH1A1
SCHEMBL10302273 0.92 TUBB1 (0.44) TACR2GAAKDM4ELMNAMAPT
SCHEMBL12717085 0.89 FFAR1 (0.42) TACR2GAAKDM4ELMNAFFAR4
SCHEMBL10302193 0.89 FFAR4 (0.36) TACR2GAAKDM4ELMNAMAPT
SCHEMBL1243355 0.88 HTR1A (0.42) TACR2GAAKDM4EMAPTALDH1A1
SCHEMBL12740978 0.87 FFAR1 (0.47) TACR2FFAR1PPARGPPARDPPARA
SCHEMBL12741011 0.87 FFAR1 (0.47) TACR2GAAKDM4ELMNAMAPT
SCHEMBL12740097 0.86 CTSL (0.36) GAAKDM4EMAPTALDH1A1FFAR4

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 3 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

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 TACR2 2221/4885GAA 4763/4885KDM4E 2690/4885

“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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