SCHEMBL1779047

SCHEMBL1779047

COC(=O)c1ccc(C2CCC(O)CC2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
ESR2 Q92731 2/20 0.41
SLC6A3 Q01959 2/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
ATM Q13315 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
PDK2 Q15119 2/20 0.38
PDK4 Q16654 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL1779046 1.00 KDM4E (0.42) KDM4EALDH1A1ESR2SLC6A3GAA
SCHEMBL1726032 0.94 KDM4E (0.46) KDM4EALDH1A1SLC6A3GAAHPGD
SCHEMBL13544503 0.88 ACMSD (0.46) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL12488998 0.88 ALDH1A1 (0.43) KDM4EALDH1A1SLC6A3GAAHPGD
SCHEMBL32677482 0.87 ALDH1A1 (0.42) KDM4EALDH1A1SLC6A3GAAHPGD
SCHEMBL1781399 0.87 KDM4E (0.41) KDM4EALDH1A1SLC6A3GAAHPGD
SCHEMBL1781398 0.87 KDM4E (0.41) KDM4EALDH1A1SLC6A3GAAHPGD
SCHEMBL26478575 0.87 ACMSD (0.48) KDM4EALDH1A1GAAHPGDCASP1
Hydrochloric Acid SCHEMBL30409796 0.87 ALDH1A1 (0.43) KDM4EALDH1A1SLC6A3GAAHPGD
SCHEMBL20503220 0.87 ACMSD (0.48) KDM4EALDH1A1GAAHPGDCASP1

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-2197551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-12-28 EP disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 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 (2 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-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 KDM4E 1970/4885ALDH1A1 2099/4885ESR2 823/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 KDM4E 1970/4885ALDH1A1 2099/4885ESR2 823/4885

“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.