SCHEMBL19722045

SCHEMBL19722045

C=C(CO)C(=O)OCCOc1ccc(-c2ccc(C3CCC(C4CCC(CCCCC)CC4)CC3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.41
▸ RARB P10826 5/20 0.38
▸ CYP2C9 P11712 2/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ITGB3 P05106 2/20 0.35
▸ ITGA2B P08514 2/20 0.35
▸ RARA P10276 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL19722125 0.97 RAB9A (0.43) RAB9ARARBCYP2C9P2RY14S1PR3
SCHEMBL19722549 0.97 RAB9A (0.43) RAB9ACYP2C9S1PR3LMNAALDH1A1
SCHEMBL19722609 0.94 RAB9A (0.46) RAB9ACYP2C9S1PR3LMNAALDH1A1
SCHEMBL19721996 0.94 RAB9A (0.46) RAB9ACYP2C9S1PR3LMNAALDH1A1
SCHEMBL19722154 0.93 RAB9A (0.45) RAB9ACYP2C9S1PR3LMNAALDH1A1
SCHEMBL19721957 0.92 RAB9A (0.40) RAB9ARARBCYP2C9P2RY14S1PR3
SCHEMBL20313544 0.92 RAB9A (0.43) RAB9ACYP2C9S1PR3LMNAALDH1A1
SCHEMBL19854416 0.91 RAB9A (0.37) RAB9ARARBCYP2C9P2RY14S1PR3
SCHEMBL19722399 0.91 FFAR4 (0.37) RAB9ACYP2C9P2RY14LMNAALDH1A1
SCHEMBL19855316 0.90 RAB9A (0.37) RAB9ARARBCYP2C9P2RY14S1PR3

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
US-10392339-B2 Polymerizable polar compound, liquid crystal composition, and liquid crystal display element JNC CORPORATION (JP) 2019-08-27 — — US disclosed
US-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2017-12-28 — — US disclosed
EP-3257839-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-12-20 — — EP 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 (2 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-10392339-B2 Polymerizable polar compound, liquid crystal composition, and liquid crystal display element SP1, HVCN1, CXCR1 RAB9A 3751/4885RARB 2607/4885CYP2C9 4226/4885
US-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT SP1, SPIN1, SAV1 RAB9A 3798/4885RARB 1568/4885CYP2C9 4442/4885

“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