SCHEMBL12717868

SCHEMBL12717868

C=CCCOc1ccc(-c2ccc(C(=O)Oc3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.35
▸ CYP3A4 P08684 3/20 0.33
▸ AAK1 Q2M2I8 3/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ BCL9 O00512 2/20 0.31
▸ CTNNB1 P35222 2/20 0.31
▸ FAAH O00519 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ANPEP P15144 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.30
▸ CASR P41180 1/20 0.30
▸ NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL12822489 0.93 ALDH1A1 (0.33) CYP3A4ALDH1A1MEN1KMT2ATDP1
SCHEMBL12823996 0.93 ALDH1A1 (0.33) CYP3A4ALDH1A1MEN1KMT2ATDP1
SCHEMBL12717339 0.91 KDM4E (0.37) MCHR1CYP3A4AAK1FFAR1ALDH1A1
SCHEMBL12823714 0.90 FFAR4 (0.34) MCHR1FFAR1ALDH1A1FAAHL3MBTL1
SCHEMBL12823476 0.90 FAAH (0.35) MCHR1S1PR1FFAR1FAAHMAPT
SCHEMBL12737541 0.89 TP53 (0.37) MCHR1CYP3A4S1PR1ALDH1A1BCL9
SCHEMBL12822624 0.89 APP (0.37) S1PR1FFAR1ALDH1A1L3MBTL1MAPT
SCHEMBL12823903 0.88 APP (0.34) MCHR1ALDH1A1FAAHKMT2AL3MBTL1
SCHEMBL12823719 0.88 CASR (0.36) FFAR1ALDH1A1FAAHMEN1KMT2A
SCHEMBL14766216 0.87 MAPT (0.42) S1PR1FFAR1ALDH1A1KMT2AL3MBTL1

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 MCHR1 3483/4885CYP3A4 2310/4885AAK1 451/4885

“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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