SCHEMBL20322684

SCHEMBL20322684

C=C(CO)C(=O)OCCOc1cc(OCCOc2ccc(C3CCC(CCCCC)CC3)cc2)cc(OCCOC(O)C(=C)CO)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.38
▸ ITGB3 P05106 5/20 0.35
▸ ITGA2B P08514 5/20 0.35
▸ CYP2C9 P11712 2/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ PPARG P37231 2/20 0.32
▸ ITGAV P06756 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CNR1 P21554 2/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ PLA2G4B P0C869 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
SCHEMBL20407591 0.94 RAB9A (0.33) RAB9AITGB3ITGA2BCYP2C9LMNA
SCHEMBL20313544 0.91 RAB9A (0.43) RAB9AITGB3ITGA2BCYP2C9S1PR3
SCHEMBL20322659 0.91 RAB9A (0.30) RAB9ALMNAALDH1A1MAPT
SCHEMBL19722609 0.89 RAB9A (0.46) RAB9AITGB3ITGA2BCYP2C9S1PR3
SCHEMBL19721996 0.89 RAB9A (0.46) RAB9AITGB3ITGA2BCYP2C9S1PR3
SCHEMBL19722154 0.88 RAB9A (0.45) RAB9AITGB3ITGA2BCYP2C9S1PR3
SCHEMBL20322603 0.87 RAB9A (0.33) RAB9A
SCHEMBL20313545 0.87 RAB9A (0.45) RAB9AITGB3ITGA2BCYP2C9S1PR3
SCHEMBL20322593 0.87 ITGB3 (0.33) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL23635495 0.86 — —

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 3952/4885ITGB3 2671/4885ITGA2B 4063/4885

“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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