SCHEMBL20322673

SCHEMBL20322673

C=C(CO)C(=O)OCCOc1cc(OCCOC(=O)C(C)(C)CO)cc(-c2ccc(-c3ccc(C4CCC(CCCCCCCCC)CC4)cc3)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.33
▸ P2RY14 Q15391 1/20 0.33
▸ CNR1 P21554 8/20 0.32
▸ CNR2 P34972 8/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PPARG P37231 2/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ RARB P10826 2/20 0.31
▸ S1PR3 Q99500 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
SCHEMBL20322738 1.00 RAB9A (0.33) RAB9AP2RY14CNR1CNR2CYP2C9
SCHEMBL19854219 0.93 RAB9A (0.37) RAB9AP2RY14CNR1CNR2CYP2C9
SCHEMBL19855316 0.93 RAB9A (0.37) RAB9AP2RY14CNR1CNR2CYP2C9
SCHEMBL19854416 0.93 RAB9A (0.37) RAB9AP2RY14CNR1CNR2CYP2C9
SCHEMBL20322699 0.93 MMP2 (0.36) PPARGPPARA
SCHEMBL20322680 0.93 FFAR4 (0.32) RAB9A
SCHEMBL20322630 0.91 CYP2C9 (0.36) CYP2C9PPARGPPARAALDH1A1LMNA
SCHEMBL20322718 0.90 ITGB3 (0.34) CNR1CNR2CYP2C9RARBS1PR3
SCHEMBL20407450 0.89 ALDH1A1 (0.35) RAB9AP2RY14CNR1CNR2CYP2C9
SCHEMBL20322608 0.89 PPARG (0.32) PPARGPPARA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-06-28 — — US 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-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE C1S, CCND1, C5 RAB9A 3952/4885P2RY14 3341/4885CNR1 229/4885

“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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