SCHEMBL13612535

SCHEMBL13612535

CCC(CC)N1CCC(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.40
HRH3 Q9Y5N1 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL30597462 0.85 S1PR5 (0.42)
SCHEMBL21414346 0.82 KDM4E (0.41) KDM4EALDH1A1LMNAHRH3L3MBTL1
SCHEMBL20780310 0.79 LMNA (0.38) KDM4EALDH1A1LMNAL3MBTL1USP2
SCHEMBL13101700 0.79 APLNR (0.38) KDM4EALDH1A1TDP1TP53HRH3
SCHEMBL20794154 0.78 MAPT (0.57) KDM4EALDH1A1CYP2C19POLB
SCHEMBL18710367 0.78 LMNA (0.40) KDM4EALDH1A1LMNAL3MBTL1USP2
SCHEMBL1874567 0.77 HRH3 (0.45) KDM4EALDH1A1LMNAHRH3USP2
SCHEMBL29276470 0.77 LMNA (0.36) KDM4EALDH1A1LMNAL3MBTL1USP2
Hydrochloric Acid SCHEMBL17275914 0.77 TSHR (0.40) KDM4EALDH1A1TDP1LMNAHRH3
SCHEMBL20988098 0.76 SMN1; SMN2 (0.50) ALDH1A1LMNAL3MBTL1SMN1; SMN2TSHR

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-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2019-03-07 US disclosed
US-7629339-B2 inhibitors of protein kinases and are useful in treating cancer; 4-({5-[5-Fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl}-amino)-3-methoxy-butyric acid; anticarcinogenic agent THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-08 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-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 KDM4E 3817/4885ALDH1A1 1235/4885TDP1 1557/4885

“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.