SCHEMBL22360617

SCHEMBL22360617

BC(=O)CC(=O)C(C)(CCC)CCC

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL22360655 0.84 CES2 (0.40) HSD17B10MEN1KMT2A
SCHEMBL22360687 0.82 CES2 (0.39) HSD17B10MEN1KMT2A
SCHEMBL16064919 0.75 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL19546267 0.70 GPR84 (0.42) ALDH1A1HSD17B10MEN1KMT2ATDP1
SCHEMBL9243513 0.69 DGAT1 (0.41) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL13954111 0.67 GAA (0.39) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL20489985 0.67 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL1685057 0.67 TSHR (0.50) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL20026904 0.67 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL7763609 0.67 LMNA (0.43) ALDH1A1LMNAHSD17B10MEN1KMT2A

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-20200261455-A1 INHIBITORS OF MUTANT FAMILY TYROSINE-KINASES SPECTRUM PHARMACEUTICALS, INC. 2020-08-20 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-20200261455-A1 INHIBITORS OF MUTANT FAMILY TYROSINE-KINASES ERBB2, EGFR, ERBB3 ALDH1A1 4557/4885LMNA 4355/4885HSD17B10 4328/4885

“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.