SCHEMBL12717339

SCHEMBL12717339

C=CCOc1ccc(-c2ccc(C(=O)Oc3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ FFAR1 O14842 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ADRB2 P07550 3/20 0.32
▸ ADRB1 P08588 3/20 0.32
▸ ADRB3 P13945 3/20 0.32
▸ ERN1 O75460 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ IL2 P60568 1/20 0.32
▸ CYP3A4 P08684 4/20 0.32
▸ AAK1 Q2M2I8 2/20 0.32
▸ FAAH O00519 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ANPEP P15144 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
SCHEMBL12823264 0.92 KDM4E (0.38) KDM4EALDH1A1ADRB2ADRB1ADRB3
SCHEMBL12717954 0.92 KDM4E (0.38) KDM4EALDH1A1ADRB2ADRB1ADRB3
SCHEMBL12717868 0.91 MCHR1 (0.35) FFAR1ALDH1A1CYP3A4AAK1FAAH
SCHEMBL12823712 0.90 KDM4E (0.38) KDM4EADRB2ADRB1ADRB3GAA
SCHEMBL12737537 0.89 TP53 (0.38) KDM4EERN1GAATSHRCYP3A4
SCHEMBL12718003 0.88 APP (0.38) KDM4EALDH1A1ADRB2ADRB1ADRB3
SCHEMBL12822874 0.88 KDM4E (0.38) KDM4EALDH1A1ADRB2ADRB1ADRB3
SCHEMBL12823728 0.88 ADRB2 (0.38) KDM4EALDH1A1ADRB2ADRB1ADRB3
SCHEMBL14766535 0.87 MAPT (0.44) KDM4EFFAR1KMT2AMAPT
SCHEMBL12716825 0.86 ERN1 (0.39) FFAR1ALDH1A1ERN1GAAAAK1

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-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
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 — — EP disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO 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 KDM4E 2690/4885FFAR1 247/4885ALDH1A1 1480/4885

“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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