SCHEMBL20313630

SCHEMBL20313630

C=C(CO)C(=O)OCCOc1cc(OCCOC(=O)C(=C)CO)cc(-c2ccc(C#Cc3ccc(C4CCC(CCCCC)CC4)cc3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.36
▸ P2RY14 Q15391 2/20 0.35
▸ ACACB O00763 4/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ RARB P10826 5/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RARA P10276 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 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
SCHEMBL20313623 0.97 RAB9A (0.36) RAB9AP2RY14ACACBCYP2C9RARB
SCHEMBL19854416 0.95 RAB9A (0.37) RAB9AP2RY14CYP2C9RARBITGB3
SCHEMBL19854219 0.94 RAB9A (0.37) RAB9AP2RY14CYP2C9RARBALDH1A1
SCHEMBL19855316 0.94 RAB9A (0.37) RAB9AP2RY14CYP2C9RARBALDH1A1
SCHEMBL19854693 0.94 ACACB (0.33) RAB9AP2RY14ACACBITGB3ITGA2B
SCHEMBL20407450 0.92 ALDH1A1 (0.35) RAB9AP2RY14CYP2C9RARBITGB3
SCHEMBL20313544 0.90 RAB9A (0.43) RAB9ACYP2C9ITGB3ITGA2BALDH1A1
SCHEMBL19722125 0.90 RAB9A (0.43) RAB9AP2RY14CYP2C9RARBITGB3
SCHEMBL20322686 0.90 P2RY14 (0.39) P2RY14ACACBITGB3ITGA2B
SCHEMBL20322814 0.90 RAB9A (0.34) RAB9AP2RY14CYP2C9RARBITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214615-A1 LIQUID CRYSTAL DISPLAY DEVICE AND DISPLAY UNIT JNC CORPORATION (JP) 2021-07-15 — — US disclosed
EP-3351525-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2018-07-25 — — EP disclosed
US-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-06-28 — — US disclosed
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 3341/4885ACACB 4473/4885

“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.

Send feedback