SCHEMBL713575

SCHEMBL713575

CCCCCC1(Cc2ccccc2)OC(=O)C1(CCCC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
MMP8 P22894 2/20 0.46
MMP13 P45452 2/20 0.46
CETP P11597 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.36
MMP3 P08254 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
HDAC3 O15379 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL713576 1.00 MMP2 (0.46) MMP2MMP9MMP8MMP13CETP
SCHEMBL29015898 0.67 MMP2 (0.44) MMP2MMP9MMP8MMP13MMP3
SCHEMBL712649 0.64 MMP2 (0.44) MMP2MMP9MMP8MMP13MEN1
SCHEMBL14778371 0.62 MMP2 (0.48) MMP2MMP9MMP8MMP13MEN1
SCHEMBL18344443 0.62 MMP9 (0.88) MMP2MMP9MMP8MMP13KMT2A
SCHEMBL20394107 0.62 MMP9 (0.51) MMP2MMP9MMP8MMP13MEN1
SCHEMBL14778363 0.61 MMP2 (0.50) MMP2MMP9MMP8MMP13MEN1
SCHEMBL14779509 0.61 MMP2 (0.50) MMP2MMP9MMP8MMP13MEN1
SCHEMBL14779275 0.61 MMP2 (0.50) MMP2MMP9MMP8MMP13MEN1
SCHEMBL14778333 0.61 MMP2 (0.50) MMP2MMP9MMP8MMP13MEN1

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-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

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 MMP2 1131/4885MMP9 1562/4885MMP8 2002/4885

“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.