Sugi Predict

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SCHEMBL16436364

SCHEMBL16436364

C=C(C)C(=O)OCCOc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3)o2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ELANE P08246 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ S1PR1 P21453 3/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ APP P05067 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
SCHEMBL16436233 0.88 ELANE (0.41) ELANEMAOBKMT2AATMAPP
SCHEMBL16436351 0.87 POLB (0.49) POLBAPEX1HTTTDP1ELANE
SCHEMBL16436272 0.85 ELANE (0.40) TDP1ELANEKMT2AATMAPP
SCHEMBL19674629 0.82 FFAR4 (0.44) POLBAPEX1HTTTDP1ELANE
SCHEMBL16436244 0.82 ELANE (0.36) ELANEMAOBKMT2AATMAPP
SCHEMBL16436206 0.82 ELANE (0.36) ELANEMAOBKMT2AATMAPP
SCHEMBL24555444 0.82 POLB (0.44) POLBAPEX1HTTTDP1ELANE
SCHEMBL19824585 0.82 POLB (0.44) POLBAPEX1HTTTDP1ELANE
SCHEMBL26044722 0.82 POLB (0.44) POLBAPEX1HTTTDP1ELANE
SCHEMBL16436349 0.81 ELANE (0.41) ELANEMAOBPRKAB2PRKAG1PRKAA2

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-9315603-B2 Polymerizable compound having oxygen-containing five-membered ring, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-04-19 — — US disclosed
US-9315603-B2 Polymerizable compound having oxygen-containing five-membered ring, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-04-19 — — US disclosed
US-20150034871-A1 POLYMERIZABLE COMPOUND HAVING OXYGEN-CONTAINING FIVE-MEMBERED RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-02-05 — — US disclosed
US-20150034871-A1 POLYMERIZABLE COMPOUND HAVING OXYGEN-CONTAINING FIVE-MEMBERED RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-02-05 — — 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-20150034871-A1 POLYMERIZABLE COMPOUND HAVING OXYGEN-CONTAINING FIVE-MEMBERED RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD1, OCIAD2, SCO2 POLB 1576/4885APEX1 797/4885HTT 4712/4885

“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.