SCHEMBL20537232

SCHEMBL20537232

C=CCOc1ccc2cccc(O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.53
HPGD P15428 4/20 0.46
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA9 Q16790 5/20 0.46
CTDSP1 Q9GZU7 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MTNR1B P49286 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC5A1 P13866 1/20 0.40

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
SCHEMBL20537009 0.88 HPGD (0.46) MTNR1AHPGDCA12CA1CA9
SCHEMBL3824435 0.83 MTNR1A (0.51) MTNR1AHPGDCA12CA1CA9
SCHEMBL28571595 0.81 MTNR1A (0.50) MTNR1AHPGDCA12CA1CA9
SCHEMBL6583661 0.81 MTNR1A (0.50) MTNR1AHPGDCA12CA1CA9
SCHEMBL470906 0.78 CA12 (0.57) MTNR1ACA12CA1CA9MAPT
SCHEMBL30541768 0.78 CA12 (0.57) MTNR1ACA12CA1CA9MAPT
SCHEMBL26208606 0.77 MTNR1A (0.50) MTNR1AHPGDCA12CA1CA9
SCHEMBL3825460 0.77 CA12 (0.64) MTNR1AHPGDCA12CA1CA9
SCHEMBL8249461 0.77 CA12 (0.44) MTNR1AHPGDCA12CA1CA9
SCHEMBL28406921 0.76 CA12 (0.55) MTNR1AHPGDCA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368069-B Oxazine compound, composition and cured product DIC株式会社 2022-10-14 CN disclosed
CN-108473642-B Oxazine compound, composition and cured product DIC株式会社 2021-05-07 CN disclosed
US-10913725-B2 Oxazine compound, composition and cured product DIC CORPORATION (JP) 2021-02-09 US disclosed
US-10399312-B2 Oxazine compound, composition and cured product DIC CORPORATION (JP) 2019-09-03 US disclosed
US-20180362479-A1 OXAZINE COMPOUND, COMPOSITION AND CURED PRODUCT DIC CORPORATION (JP) 2018-12-20 US disclosed
US-20180333941-A1 OXAZINE COMPOUND, COMPOSITION AND CURED PRODUCT DIC CORPORATION (JP) 2018-11-22 US disclosed
EP-3401311-A1 OXAZINE COMPOUND, COMPOSITION AND CURED PRODUCT DIC Corporation (JP) 2018-11-14 EP disclosed
EP-3392281-A1 OXAZINE COMPOUND, COMPOSITION AND CURED PRODUCT DIC Corporation (JP) 2018-10-24 EP disclosed
CN-108473642-A Oxazine compound, composition and cured product DIC株式会社 2018-08-31 CN disclosed
CN-108368069-A Oxazine compound, composition and cured product DIC株式会社 2018-08-03 CN 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 (4 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-20180333941-A1 OXAZINE COMPOUND, COMPOSITION AND CURED PRODUCT KDM5A, PSMB5, CUL5 MTNR1A 4530/4885HPGD 1322/4885CA12 782/4885
US-10913725-B2 Oxazine compound, composition and cured product PSMB5, KDM5A, CUL5 MTNR1A 4508/4885HPGD 1165/4885CA12 974/4885
US-20180362479-A1 OXAZINE COMPOUND, COMPOSITION AND CURED PRODUCT PSMB5, KDM5A, CUL5 MTNR1A 4508/4885HPGD 1165/4885CA12 974/4885
US-10399312-B2 Oxazine compound, composition and cured product KDM5A, PSMB5, CUL5 MTNR1A 4530/4885HPGD 1322/4885CA12 782/4885

“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.