SCHEMBL12822631

SCHEMBL12822631

C=CCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.36
▸ FAAH O00519 2/20 0.35
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ ADRB3 P13945 3/20 0.33
▸ ADRB1 P08588 2/20 0.33
▸ RARB P10826 2/20 0.32
▸ RARG P13631 1/20 0.32
▸ MCHR1 Q99705 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ FFAR1 O14842 1/20 0.31

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
SCHEMBL12823476 0.97 FAAH (0.35) S1PR1FAAHTHRATHRBPTPN11
SCHEMBL12717335 0.93 L3MBTL1 (0.34) PTPN11ADRB3ADRB1MAPTL3MBTL1
SCHEMBL12823949 0.93 L3MBTL1 (0.34) PTPN11ADRB3ADRB1MAPTL3MBTL1
SCHEMBL12823956 0.92 ALDH1A1 (0.35) S1PR1FAAHTHRATHRBPTPN11
SCHEMBL12824001 0.90 FAAH (0.38) S1PR1FAAHPTPN11ADRB3ADRB1
SCHEMBL12719403 0.90 ALDH1A1 (0.35) S1PR1FAAHTHRATHRBPTPN11
SCHEMBL12823944 0.90 KDM4E (0.31) ADRB3ADRB1MAPTL3MBTL1
SCHEMBL12823168 0.90 KDM4E (0.31) ADRB3ADRB1MAPTL3MBTL1
SCHEMBL12821297 0.90 FAAH (0.42) S1PR1FAAHTHRBADRB3ADRB1
SCHEMBL12717881 0.89 S1PR1 (0.37) S1PR1FAAHPTPN11ADRB3ADRB1

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 S1PR1 1190/4885FAAH 725/4885THRA 1972/4885

“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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