SCHEMBL22773192

SCHEMBL22773192

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.48
HIF1A Q16665 1/20 0.41
ESR1 P03372 3/20 0.38
ESR2 Q92731 2/20 0.38
KDM4E B2RXH2 1/20 0.37
PDE4A P27815 3/20 0.37
HTR7 P34969 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MCHR1 Q99705 1/20 0.36
HDAC3 O15379 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 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
SCHEMBL29853088 1.00 TUBB1 (0.48) TUBB1HIF1AESR1ESR2KDM4E
SCHEMBL19422953 1.00 TUBB1 (0.48) TUBB1HIF1AESR1ESR2KDM4E
SCHEMBL19423035 0.95 TUBB1 (0.47) TUBB1HIF1AESR1ESR2KDM4E
SCHEMBL22773194 0.95 TUBB1 (0.47) TUBB1HIF1AESR1ESR2KDM4E
SCHEMBL22773169 0.91 HIF1A (0.39) TUBB1HIF1AESR1ESR2KDM4E
SCHEMBL29853075 0.91 HIF1A (0.39) TUBB1HIF1AESR1ESR2KDM4E
SCHEMBL19422940 0.91 PDE4A (0.47) HIF1AESR1ESR2KDM4EPDE4A
SCHEMBL19422914 0.91 HIF1A (0.39) TUBB1HIF1AESR1ESR2KDM4E
SCHEMBL22773198 0.89 HIF1A (0.40) TUBB1HIF1AESR1ESR2KDM4E
SCHEMBL19423029 0.89 PDE4A (0.46) HIF1AESR1ESR2KDM4EPDE4A

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-20200392150-A1 Diaryl-B-Lactam Compound and Preparation Method and Pharmaceutical Use Thereof FUDAN UNIVERSITY (CN) 2020-12-17 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-20200392150-A1 Diaryl-B-Lactam Compound and Preparation Method and Pharmaceutical Use Thereof PEPD, SQLE, BACE1 TUBB1 762/4885HIF1A 3899/4885ESR1 4487/4885

“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.