SCHEMBL4943147

SCHEMBL4943147

COP(=O)(CC(=O)CCC1CCC1)OC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 2/20 0.33
KLK7 P49862 1/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL11777842 0.97 ALDH1A1 (0.40) ALDH1A1HPGDNPSR1TDP1HSD11B1
SCHEMBL9221544 0.95 ALDH1A1 (0.42) ALDH1A1HPGDNPSR1TDP1HSD11B1
SCHEMBL4936669 0.93 ALDH1A1 (0.33) ALDH1A1HPGDNPSR1
SCHEMBL11626601 0.84 KDM5A (0.41) ALDH1A1TDP1MEN1KMT2A
SCHEMBL8502952 0.82 ALDH1A1 (0.38) ALDH1A1HSD11B1MEN1KMT2AKDM4E
SCHEMBL11558922 0.81 KDM5A (0.36) MEN1KMT2AMAPT
SCHEMBL12446831 0.79 HSD11B1 (0.40) ALDH1A1HPGDHSD11B1MEN1KMT2A
SCHEMBL4163823 0.79 EPHX2 (0.36) ALDH1A1HPGDTDP1KMT2AHSD17B10
SCHEMBL27494085 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7983498 0.77 KDM4E (0.46) ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058375-A1 Bone disorders; osteoporosis; antihistamines; sexual disorders; antiinflammatory agents; antiarthritic agents; vision defects; antiulcer agents ELWORTHY TODD R 2008-03-06 US disclosed
US-7271183-B2 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC (US) 2007-09-18 US disclosed
CN-1863768-A Prostaglandin analogs as agonists of the EP4 receptor HOFFMANN LA ROCHE (CH) 2006-11-15 CN disclosed
CN-1735597-A 2-piperidone derivatives as prostaglandin agonists HOFFMANN LA ROCHE (CH) 2006-02-15 CN disclosed
EP-1585729-A1 2-PIPERIDONE DERIVATIVES AS PROSTAGLANDIN AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-10-19 EP disclosed
US-6900336-B2 8-aza-11-deoxy prostaglandin analogues SYNTEX (U.S.A.) LLC (US) 2005-05-31 US disclosed
WO-2004063158-A1 2-PIPERIDONE DERIVATIVES AS PROSTAGLANDIN AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-07-29 WO disclosed
US-20040142969-A1 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC 2004-07-22 US disclosed
EP-1409455-A1 PROSTAGLANDIN ANALOGUES-AS EP4 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-21 EP disclosed
US-20030120079-A1 Such as 7-((R)-2-((E)-3-(3-Benzyl-phenyl)-3-hydroxy-propenyl)-5-oxo-pyrrolidin-1-yl)-heptanoic acid; side effects reduction SYNTEX (U.S.A.) LLC 2003-06-26 US disclosed
WO-2003008377-A1 PROSTAGLANDIN ANALOGUES_AS EP4 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-30 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 (3 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-20080058375-A1 Bone disorders; osteoporosis; antihistamines; sexual disorders; antiinflammatory agents; antiarthritic agents; vision defects; antiulcer agents C3AR1, C1R, HRH4 ALDH1A1 1445/4885HPGD 521/4885NPSR1 34/4885
US-20040142969-A1 2-Piperidone derivatives as prostaglandin agonists PTGER1, PTGER2, PTGER4 ALDH1A1 484/4885HPGD 100/4885NPSR1 49/4885
US-20030120079-A1 Such as 7-((R)-2-((E)-3-(3-Benzyl-phenyl)-3-hydroxy-propenyl)-5-oxo-pyrrolidin-1-yl)-heptanoic acid; side effects reduction PTGER4, FFAR4, PTGER1 ALDH1A1 569/4885HPGD 692/4885NPSR1 299/4885

“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.