SCHEMBL10302272

SCHEMBL10302272

C=Cc1ccc(OCc2ccc(-c3ccc(OCC)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ TUBB1 Q9H4B7 1/20 0.39
▸ FFAR1 O14842 2/20 0.38
▸ PPARD Q03181 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ PKM P14618 2/20 0.37
▸ NTSR1 P30989 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GABRA1 P14867 2/20 0.36
▸ GABRB2 P47870 2/20 0.36
▸ MITF O75030 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
SCHEMBL12736528 0.93 TACR2 (0.40) TACR2GAATUBB1FFAR1PPARD
SCHEMBL12736487 0.92 TACR2 (0.42) TACR2GAAKDM4EMAPTALDH1A1
SCHEMBL12740940 0.92 TACR2 (0.42) TACR2GAAKDM4EMAPTALDH1A1
SCHEMBL12994382 0.91 ERN1 (0.41) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL12740976 0.89 FFAR1 (0.44) TACR2GAAFFAR1PPARDPPARG
SCHEMBL12741009 0.89 FFAR1 (0.44) TACR2GAAFFAR1PPARDPPARG
SCHEMBL10302273 0.87 TUBB1 (0.44) TACR2GAATUBB1FFAR1PPARD
SCHEMBL13264329 0.87 TUBB1 (0.40) GAATUBB1KDM4EMAPTALDH1A1
SCHEMBL12740529 0.86 PPARD (0.50) FFAR1PPARDPPARGPPARA
SCHEMBL12717609 0.85 FFAR1 (0.39) TACR2GAAFFAR1PPARDPPARG

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-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — US disclosed
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 — — EP 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 TACR2 3533/4885GAA 4618/4885TUBB1 548/4885

“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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