SCHEMBL12823949

SCHEMBL12823949

C=CCCCOc1ccc(OC(=O)c2ccc(-c3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.32
▸ CNR2 P34972 2/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ ADRB1 P08588 1/20 0.30
▸ ADRB3 P13945 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PTPN11 Q06124 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
SCHEMBL12717335 1.00 L3MBTL1 (0.34) L3MBTL1ALDH1A1MAPK1CNR2CNR1
SCHEMBL12823168 0.96 KDM4E (0.31) L3MBTL1MEN1CYP3A4KMT2ATDP1
SCHEMBL12823944 0.96 KDM4E (0.31) L3MBTL1MEN1CYP3A4KMT2ATDP1
SCHEMBL12822631 0.93 S1PR1 (0.36) L3MBTL1ALDH1A1MAPK1ADRB1ADRB3
SCHEMBL12717881 0.91 S1PR1 (0.37) L3MBTL1ALDH1A1ADRB1ADRB3PTPN11
SCHEMBL12823956 0.90 ALDH1A1 (0.35) L3MBTL1ALDH1A1KMT2AADRB1ADRB3
SCHEMBL12823476 0.90 FAAH (0.35) ADRB1ADRB3MAPTPTPN11
SCHEMBL12824001 0.90 FAAH (0.38) L3MBTL1ALDH1A1MEN1KMT2AADRB1
SCHEMBL12822091 0.88 FAAH (0.36) MEN1KMT2AADRB1ADRB3MAPT
SCHEMBL12719403 0.88 ALDH1A1 (0.35) L3MBTL1ALDH1A1ADRB1ADRB3MAPT

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 2 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
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 L3MBTL1 202/4885ALDH1A1 1480/4885MAPK1 529/4885

“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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