SCHEMBL1783530

SCHEMBL1783530

COC(=O)c1ccc(C2CCC3(CC2)OCCO3)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
KMT2A Q03164 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL24775002 0.86 IKBKE (0.40) IKBKETBK1ALDH1A1KDM4EPOLB
SCHEMBL25422162 0.84 ALDH1A1 (0.42) IKBKETBK1ALDH1A1KDM4EPOLB
SCHEMBL1726032 0.84 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2HTTHSD17B10
SCHEMBL3496971 0.83 RAB9A (0.49) ALDH1A1KDM4EPOLBSMN1; SMN2NPC1
SCHEMBL12488998 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2HTTHSD17B10
SCHEMBL13544503 0.81 ACMSD (0.46) ALDH1A1KDM4ESMN1; SMN2HTTHSD17B10
SCHEMBL26478575 0.80 ACMSD (0.48) ALDH1A1KDM4ESMN1; SMN2HTTHSD17B10
SCHEMBL20503220 0.80 ACMSD (0.48) ALDH1A1KDM4ESMN1; SMN2HTTHSD17B10
Hydrochloric Acid SCHEMBL30409796 0.80 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2HTTHSD17B10
SCHEMBL1779047 0.79 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A

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 IKBKE 964/4885TBK1 1854/4885ALDH1A1 2099/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 IKBKE 964/4885TBK1 1854/4885ALDH1A1 2099/4885

“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.