SCHEMBL24623256

SCHEMBL24623256

CN(C)c1ccc2c(CCNC(C)(C)C)cc(=O)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGLV6-57 P01721 2/20 0.46
▸ SLC18A1 P54219 1/20 0.44
▸ SLC18A2 Q05940 1/20 0.44
▸ HSD17B3 P37058 4/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ NR4A1 P22736 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43
▸ UBA2 Q9UBT2 1/20 0.43
▸ CYP2D6 P10635 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ ERAP1 Q9NZ08 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
SCHEMBL22632229 0.86 SLC18A1 (0.50) IGLV6-57SLC18A1SLC18A2HSD17B3ALDH1A1
SCHEMBL24623285 0.83 ALDH1A1 (0.44) IGLV6-57SLC18A1SLC18A2HSD17B3ALDH1A1
SCHEMBL6689431 0.82 HSD17B3 (0.62) IGLV6-57HSD17B3ALDH1A1HPGDKDM4E
SCHEMBL24623257 0.82 SLC18A1 (0.52) SLC18A1SLC18A2HSD17B3ALDH1A1HPGD
SCHEMBL22632228 0.81 MTNR1A (0.58) IGLV6-57SLC18A1SLC18A2HSD17B3ALDH1A1
SCHEMBL24623266 0.80 RAD52 (0.48) SLC18A1SLC18A2HSD17B3ALDH1A1HPGD
SCHEMBL24623215 0.80 CYP2D6 (0.63) ALDH1A1HPGDKDM4ELMNACYP2D6
SCHEMBL6417463 0.77 ALDH1A1 (0.60) IGLV6-57HSD17B3ALDH1A1HPGDKDM4E
SCHEMBL22677549 0.76 ALDH1A1 (0.48) IGLV6-57HSD17B3ALDH1A1HPGDKDM4E
SCHEMBL24623271 0.75 POLB (0.53) SLC18A1SLC18A2ALDH1A1HPGDKDM4E

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 IGLV6-57 4694/4885SLC18A1 3876/4885SLC18A2 4727/4885

“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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