SCHEMBL20554231

SCHEMBL20554231

C=CCOc1cccc2cccc(N)c12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 1/20 0.45
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
LIG1 P18858 1/20 0.40
SETDB1 Q15047 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3822715 0.87 HPGD (0.51) TSHRHPGDHSD17B10MAPK1TXNRD1
SCHEMBL9671334 0.80 TSHR (0.45) TSHRHPGDHSD17B10MAPK1CYP3A4
SCHEMBL4608367 0.80 ALDH1A1 (0.55) TSHRHPGDHSD17B10MAPK1CYP3A4
SCHEMBL20537007 0.79 HPGD (0.49) TSHRHPGDHSD17B10MAPK1TXNRD1
SCHEMBL26118236 0.77 TSHR (0.53) TSHRHPGDHSD17B10MAPK1CYP3A4
SCHEMBL12004979 0.77 TSHR (0.42) TSHRHPGDHSD17B10MAPK1CYP3A4
SCHEMBL20554725 0.77 CYP3A4 (0.49) TSHRHPGDHSD17B10MAPK1CYP3A4
SCHEMBL1803870 0.77 ALDH1A1 (0.62) HPGDHSD17B10MAPK1CYP3A4ALDH1A1
SCHEMBL11228552 0.75 TSHR (0.44) TSHRHPGDHSD17B10MAPK1CYP3A4
SCHEMBL20934580 0.74 HPGD (0.41) TSHRHPGDHSD17B10MAPK1TXNRD1

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
CN-108368069-B Oxazine compound, composition and cured product DIC株式会社 2022-10-14 CN disclosed
US-10399312-B2 Oxazine compound, composition and cured product DIC CORPORATION (JP) 2019-09-03 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

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-20180333941-A1 OXAZINE COMPOUND, COMPOSITION AND CURED PRODUCT KDM5A, PSMB5, CUL5 TSHR 4872/4885HPGD 1322/4885HSD17B10 1784/4885
US-10399312-B2 Oxazine compound, composition and cured product KDM5A, PSMB5, CUL5 TSHR 4872/4885HPGD 1322/4885HSD17B10 1784/4885

“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.