SCHEMBL25909628

SCHEMBL25909628

CC(=O)C#CC1CCCO1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.35
NOS2 P35228 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 6/20 0.32
HPGD P15428 4/20 0.32
HSD17B10 Q99714 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
POLB P06746 2/20 0.30
LMNA P02545 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
SCHEMBL31349858 0.81 NOS2 (0.34) KMT2ANOS2RECQLALDH1A1HPGD
SCHEMBL25884828 0.79 HPGD (0.35) KMT2ANOS2RECQLALDH1A1HPGD
SCHEMBL14225509 0.73 SLC6A3 (0.36) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL24689309 0.73 ALDH1A1 (0.36) KMT2ARECQLALDH1A1HPGDHSD17B10
SCHEMBL26263671 0.73 ALDH1A1 (0.36) KMT2ARECQLALDH1A1HPGDHSD17B10
SCHEMBL1865678 0.73
SCHEMBL5771317 0.69
SCHEMBL2321562 0.69
SCHEMBL21318028 0.69
SCHEMBL890174 0.69

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-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 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-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR KMT2A 3021/4885MEN1 2520/4885NOS2 3998/4885

“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.