SCHEMBL1781398

SCHEMBL1781398

COC(=O)c1ccc([C@H]2CC[C@H](OC)CC2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SLC6A3 Q01959 2/20 0.39
GAA P10253 4/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
ATM Q13315 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
PDK2 Q15119 2/20 0.37
PDK4 Q16654 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL1781399 1.00 KDM4E (0.41) KDM4EALDH1A1SLC6A3GAAHSD17B10
SCHEMBL1726032 0.93 KDM4E (0.46) KDM4EALDH1A1SLC6A3GAAHSD17B10
SCHEMBL1779046 0.87 KDM4E (0.42) KDM4EALDH1A1SLC6A3GAAHSD17B10
SCHEMBL1779047 0.87 KDM4E (0.42) KDM4EALDH1A1SLC6A3GAAHSD17B10
SCHEMBL12488998 0.87 ALDH1A1 (0.43) KDM4EALDH1A1SLC6A3GAAHSD17B10
SCHEMBL13544503 0.87 ACMSD (0.46) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL32677482 0.86 ALDH1A1 (0.42) KDM4EALDH1A1SLC6A3GAAHSD17B10
SCHEMBL20503220 0.85 ACMSD (0.48) KDM4EALDH1A1GAAHSD17B10HPGD
Hydrochloric Acid SCHEMBL30409796 0.85 ALDH1A1 (0.43) KDM4EALDH1A1SLC6A3GAAHSD17B10
SCHEMBL26478575 0.85 ACMSD (0.48) KDM4EALDH1A1GAAHSD17B10HPGD

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 2099/4885SLC6A3 2629/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 KDM4E 1970/4885ALDH1A1 2099/4885SLC6A3 2629/4885

“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.