SCHEMBL12736487

SCHEMBL12736487

C=Cc1ccc(-c2ccc(OCc3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 6/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ PKM P14618 2/20 0.38
▸ NTSR1 P30989 1/20 0.38
▸ LMNA P02545 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GABRA1 P14867 2/20 0.37
▸ GABRB2 P47870 2/20 0.37
▸ MITF O75030 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HTR1A P08908 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
SCHEMBL12740940 1.00 TACR2 (0.42) TACR2GAAMAPTKDM4EALDH1A1
SCHEMBL12736528 0.92 TACR2 (0.40) TACR2GAAMAPTKDM4EALDH1A1
SCHEMBL10302272 0.92 TACR2 (0.41) TACR2GAAMAPTKDM4EALDH1A1
SCHEMBL1243355 0.89 HTR1A (0.42) TACR2GAAMAPTKDM4EALDH1A1
SCHEMBL12717609 0.89 FFAR1 (0.39) TACR2GAAMAPTKDM4EALDH1A1
SCHEMBL10302192 0.88 KDM4E (0.36) TACR2GAAMAPTKDM4EALDH1A1
SCHEMBL12740976 0.87 FFAR1 (0.44) TACR2GAAMAPT
SCHEMBL12741009 0.87 FFAR1 (0.44) TACR2GAAMAPTALDH1A1HPGD
SCHEMBL12736498 0.86 TACR2 (0.41) TACR2GAAMAPTKDM4EALDH1A1
SCHEMBL12740943 0.86 TACR2 (0.41) TACR2GAAMAPTKDM4EALDH1A1

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 4763/4885MAPT 1075/4885

“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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