SCHEMBL24623271

SCHEMBL24623271

COC(=O)Nc1ccc2c(CCNC(C)(C)C)cc(=O)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.53
▸ CA12 O43570 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ ALDH1A1 P00352 6/20 0.51
▸ HPGD P15428 6/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ SLC18A1 P54219 1/20 0.48
▸ SLC18A2 Q05940 1/20 0.48
▸ GAA P10253 3/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47

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
SCHEMBL24623222 0.90 HPGD (0.65) POLBCA12CA1CA9ALDH1A1
SCHEMBL24623215 0.80 CYP2D6 (0.63) CA12CA1CA9ALDH1A1HPGD
SCHEMBL24623218 0.78 ALDH1A1 (0.63) POLBCA12CA1CA9ALDH1A1
SCHEMBL22632085 0.78 ALDH1A1 (0.69) POLBCA12CA1CA9ALDH1A1
SCHEMBL24623266 0.78 RAD52 (0.48) POLBCA12CA9ALDH1A1HPGD
SCHEMBL24623257 0.77 SLC18A1 (0.52) CA12CA1CA9ALDH1A1HPGD
SCHEMBL22632089 0.76 ALDH1A1 (0.67) POLBCA12CA1CA9ALDH1A1
SCHEMBL119578 0.76 RAB9A (0.78) POLBCA12CA1CA9ALDH1A1
SCHEMBL24623256 0.75 IGLV6-57 (0.46) POLBALDH1A1HPGDKDM4ENPC1
SCHEMBL6227542 0.71 ALDH1A1 (0.74) POLBCA12CA1CA9ALDH1A1

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-20220218722-A1 COUMARIN-MODIFIED ANDROGENS FOR THE TREATMENT OF PROSTATE CANCER UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2022-07-14 — — 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-20220218722-A1 COUMARIN-MODIFIED ANDROGENS FOR THE TREATMENT OF PROSTATE CANCER AR, SHBG, NCOA1 POLB 4344/4885CA12 1456/4885CA1 1851/4885

“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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