SCHEMBL6900517

SCHEMBL6900517

CC(=O)OC1=CCC[C@@H](C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
GLA P06280 1/20 0.31
CHRNA7 P36544 1/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ESR1 P03372 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
HMGB1 P09429 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
GGT1 P19440 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
BLM P54132 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 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
SCHEMBL6759564 1.00 ALDH1A1 (0.31) ALDH1A1CHRNB2CHRNA4GLACHRNA7
SCHEMBL28426093 0.77 LMNA (0.33) ALDH1A1KDM4EHPGDLMNA
SCHEMBL16519489 0.74
SCHEMBL14572986 0.74
Acetic Acid Methyl Ester SCHEMBL4321573 0.73 ALDH1A1 (0.36) ALDH1A1CHRNB2CHRNA4CHRNA7KDM4E
SCHEMBL8852364 0.72
SCHEMBL1786388 0.71 CHRNB2 (0.37) ALDH1A1CHRNB2CHRNA4CHRNA7TSHR
SCHEMBL4258014 0.70 ALDH1A1 (0.37) ALDH1A1GLAHPGDKMT2ALMNA
SCHEMBL7790440 0.70 KMT2A (0.35) ALDH1A1KDM4EKMT2ALMNA
SCHEMBL527820 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509950-B1 5-Amino-4-hydroxypentoyl amides JANSSEN R & D IRELAND (IE) 2015-02-25 EP disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
WO-2011070131-A1 5-AMINO- 4-HYDROXYPENTOYL AMIDES TIBOTEC PHARMACEUTICALS (IE) 2011-06-16 WO 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-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES C1S, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-10 ALDH1A1 1190/4885CHRNB2 4786/4885CHRNA4 4085/4885

“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.