SCHEMBL29853075

SCHEMBL29853075

C=C1C(=O)N(c2cc(OC)c(OC)c(OC)c2)C1c1ccc(OC)c(OCCCCl)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.39
PDE4A P27815 3/20 0.38
HTR7 P34969 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
TUBB1 Q9H4B7 1/20 0.37
ESR1 P03372 3/20 0.36
ESR2 Q92731 2/20 0.36
KDM4E B2RXH2 1/20 0.36
QPCT Q16769 1/20 0.36
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL19422914 1.00 HIF1A (0.39) HIF1APDE4AHTR7PDE4BPDE4C
SCHEMBL22773169 1.00 HIF1A (0.39) HIF1APDE4AHTR7PDE4BPDE4C
SCHEMBL22773198 0.97 HIF1A (0.40) HIF1APDE4AHTR7PDE4BPDE4C
SCHEMBL19422961 0.97 HIF1A (0.40) HIF1APDE4AHTR7PDE4BPDE4C
SCHEMBL19422940 0.92 PDE4A (0.47) HIF1APDE4AHTR7PDE4BPDE4C
SCHEMBL19422953 0.91 TUBB1 (0.48) HIF1APDE4AHTR7PDE4BPDE4C
SCHEMBL22773192 0.91 TUBB1 (0.48) HIF1APDE4AHTR7PDE4BPDE4C
SCHEMBL29853088 0.91 TUBB1 (0.48) HIF1APDE4AHTR7PDE4BPDE4C
SCHEMBL20695912 0.90 PDE4A (0.46) HIF1APDE4AHTR7PDE4BPDE4C
SCHEMBL19423029 0.90 PDE4A (0.46) HIF1APDE4AHTR7PDE4BPDE4C

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-20220251039-A1 Diaryl-B-Lactam Compound and Preparation Method and Pharmaceutical Use Thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2022-08-11 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-20220251039-A1 Diaryl-B-Lactam Compound and Preparation Method and Pharmaceutical Use Thereof PEPD, SQLE, BACE1 HIF1A 3899/4885PDE4A 959/4885HTR7 4630/4885

“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.