SCHEMBL22284877

SCHEMBL22284877

CC(C=O)OC(=O)c1n[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.62
▸ STAT3 P40763 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.54
▸ YTHDC1 Q96MU7 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ FLT3 P36888 2/20 0.47
▸ CCNA2 P20248 1/20 0.46

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
SCHEMBL7349349 0.83 KDM4E (0.66) KDM4ESTAT3HIF1AALDH1A1YTHDC1
SCHEMBL7351471 0.81 KDM4E (0.62) KDM4ESTAT3HIF1AALDH1A1YTHDC1
SCHEMBL4605405 0.78 KDM4E (0.67) KDM4ESTAT3HIF1AALDH1A1YTHDC1
SCHEMBL29805260 0.77 KDM4E (1.00) KDM4ESTAT3HIF1AALDH1A1YTHDC1
SCHEMBL498053 0.77 KDM4E (1.00) KDM4ESTAT3HIF1AALDH1A1YTHDC1
SCHEMBL928139 0.76 KDM4E (0.72) KDM4ESTAT3HIF1AALDH1A1NPC1
SCHEMBL7982729 0.76 KDM4E (0.56) KDM4ESTAT3HIF1AALDH1A1YTHDC1
SCHEMBL7348325 0.76 KDM4E (0.56) KDM4ESTAT3HIF1AALDH1A1YTHDC1
SCHEMBL25380488 0.74 KDM4E (0.71) KDM4ESTAT3HIF1AALDH1A1YTHDC1
SCHEMBL11485891 0.74 KDM4E (0.71) KDM4ESTAT3HIF1AALDH1A1YTHDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548860-B2 Pharmacophores, compounds and methods having application in the treatment of cancer through inhibition of CYP17A1 and CYP19A1 MANGOSUTHU UNIVERSITY OF TECHNOLOGY (ZA) 2023-01-10 — — US disclosed
US-20200247764-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY TECHNOLOGY (ZA) 2020-08-06 — — 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 (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-20200247764-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 CYP19A1, CYP26A1, CYP21A2 KDM4E 2047/4885STAT3 1813/4885HIF1A 986/4885
US-11548860-B2 Pharmacophores, compounds and methods having application in the treatment of cancer through inhibition of CYP17A1 and CYP19A1 CYP19A1, CYP26A1, CYP21A2 KDM4E 2047/4885STAT3 1813/4885HIF1A 986/4885

“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.

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