SCHEMBL26085650

SCHEMBL26085650

CCC(C)c1ccn(CC)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TSHR P16473 3/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2737269 0.83 HTT (0.30)
SCHEMBL28134138 0.77
SCHEMBL12534004 0.77 ALDH1A1 (0.37) ALDH1A1USP2GAAPKMHPGD
SCHEMBL22276421 0.76
SCHEMBL21107553 0.75 ALDH1A1 (0.35) ALDH1A1USP2GAAPKMHPGD
SCHEMBL27974890 0.73
SCHEMBL24871826 0.69 ACSS2 (0.35)
SCHEMBL598140 0.69 ALDH1A1 (0.52) ALDH1A1USP2GAAPKMHPGD
SCHEMBL23108326 0.66 ALOX15 (0.39) ALDH1A1USP2GAAPKMHPGD
SCHEMBL27293186 0.65

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-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 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-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 ALDH1A1 1991/4885USP2 893/4885GAA 2577/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 ALDH1A1 1991/4885USP2 893/4885GAA 2577/4885

“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.