SCHEMBL21576133

SCHEMBL21576133

CC(C)C(=O)CCc1cc[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.34
▸ CYP19A1 P11511 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL18681291 0.84 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL25139835 0.82 CYP1A2 (0.46) CYP1A2CYP19A1ALDH1A1
SCHEMBL30505617 0.80 ALDH1A1 (0.42) CYP1A2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL7697974 0.78 KEAP1 (0.42) CYP1A2ALDH1A1HSD17B10
SCHEMBL2633369 0.77 ALDH1A1 (0.43) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
Bromide SCHEMBL28900199 0.77 KEAP1 (0.41) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL18681292 0.76 GLS (0.40) KDM4EHPGD
SCHEMBL29317119 0.75 NOS3 (0.40) SMN1; SMN2
SCHEMBL8606227 0.75 ALOX5 (0.43) —
SCHEMBL27361633 0.73 MAPT (0.40) SMN1; SMN2KDM4EHPGD

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-10703733-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-07 — — US disclosed
US-20190352271-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-21 — — 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-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 CYP1A2 4744/4885CYP19A1 4463/4885SMN1; SMN2 1771/4885
US-10703733-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 CYP1A2 4744/4885CYP19A1 4463/4885SMN1; SMN2 1771/4885

“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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