SCHEMBL21945895

SCHEMBL21945895

c1ccc(-c2cccc(-c3cc(-c4cc(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c4)nc(-c4cccnc4)n3)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.63
CYP19A1 P11511 2/20 0.48
GPR84 Q9NQS5 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP11B2 P19099 3/20 0.43
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
CLK4 Q9HAZ1 3/20 0.42
CYP2C9 P11712 3/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL21945083 0.94 CYP11B1 (0.62) CYP11B1CYP19A1GPR84ALDH1A1MAPT
SCHEMBL17918139 0.91 CYP11B1 (0.62) CYP11B1CYP19A1GPR84ALDH1A1MAPT
SCHEMBL17808039 0.91 CYP11B1 (0.65) CYP11B1CYP19A1GPR84ALDH1A1MAPT
SCHEMBL17808141 0.90 CYP11B1 (0.60) CYP11B1CYP19A1GPR84ALDH1A1MAPT
SCHEMBL17917999 0.90 CYP11B1 (0.60) CYP11B1CYP19A1GPR84ALDH1A1MAPT
SCHEMBL17808017 0.90 CYP11B1 (0.62) CYP11B1CYP19A1GPR84ALDH1A1MAPT
SCHEMBL21725390 0.89 CYP11B1 (0.58) CYP11B1CYP19A1GPR84ALDH1A1MAPT
SCHEMBL30296744 0.89 CYP11B1 (0.62) CYP11B1CYP19A1GPR84ALDH1A1MAPT
SCHEMBL17918039 0.89 CYP11B1 (0.62) CYP11B1CYP19A1GPR84ALDH1A1MAPT
SCHEMBL17808016 0.89 CYP11B1 (0.62) CYP11B1CYP19A1GPR84ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200127211-A1 PHENYL BIPHENYLPYRIMIDINE COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2020-04-23 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-20200127211-A1 PHENYL BIPHENYLPYRIMIDINE COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DPYD, NUDT1, PNP CYP11B1 1205/4885CYP19A1 697/4885GPR84 4013/4885

“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.