SCHEMBL10073518

SCHEMBL10073518

CCCC/C=C1\OC(=O)[C@H]1CCCC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.36
TYR P14679 2/20 0.36
PPARG P37231 2/20 0.33
ABHD16A O95870 1/20 0.33
TSHR P16473 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CCR6 P51684 1/20 0.32
TRPA1 O75762 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
SCHEMBL713354 1.00 TP53 (0.38) TP53MEN1KMT2AALDH1A1KDM4E
SCHEMBL713355 1.00 TP53 (0.38) TP53MEN1KMT2AALDH1A1KDM4E
SCHEMBL3454958 1.00 TP53 (0.38) TP53MEN1KMT2AALDH1A1KDM4E
SCHEMBL713352 1.00 TP53 (0.38) TP53MEN1KMT2AALDH1A1KDM4E
SCHEMBL713353 1.00 TP53 (0.38) TP53MEN1KMT2AALDH1A1KDM4E
SCHEMBL3454962 1.00 TP53 (0.38) TP53MEN1KMT2AALDH1A1KDM4E
SCHEMBL18614656 0.91 TYR (0.41) TP53MEN1KMT2AALDH1A1KDM4E
SCHEMBL18614686 0.90 TYR (0.43) TP53ALDH1A1HPGDTYRPPARG
SCHEMBL18614711 0.90 TYR (0.43) TP53ALDH1A1HPGDTYRPPARG
SCHEMBL20561502 0.90 TYR (0.43) TP53ALDH1A1HPGDTYRPPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124794-B2 Method for the asymmetric synthesis of beta-lactone compounds SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-28 US disclosed
US-20100173982-A1 NOVEL METHOD FOR THE ASYMMETRIC SYNTHESIS OF BETA-LACTONE COMPOUNDS THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-07-08 US disclosed
US-7728153-B2 Method for the asymmetric synthesis of beta-lactone compounds THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-01 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-20100173982-A1 NOVEL METHOD FOR THE ASYMMETRIC SYNTHESIS OF BETA-LACTONE COMPOUNDS FASN, COASY, FADS1 TP53 2922/4885MEN1 3603/4885KMT2A 3558/4885

“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.