SCHEMBL1809233

SCHEMBL1809233

O=C(O)c1cc(OCCO)c2ccnc(C3CC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
KDM4C Q9H3R0 4/20 0.36
KDM4A O75164 2/20 0.36
KDM5A P29375 3/20 0.34
KDM5B Q9UGL1 3/20 0.34
KDM4D Q6B0I6 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
MRGPRX4 Q96LA9 2/20 0.32
IL1B P01584 1/20 0.32
RARB P10826 4/20 0.32
RARA P10276 3/20 0.32
RARG P13631 3/20 0.32
MAP4K4 O95819 1/20 0.32
CSF1R P07333 1/20 0.32
IDO1 P14902 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
SCHEMBL1811920 0.86 TSHR (0.44) GSK3AGSK3BKDM4CKDM4AMRGPRX4
SCHEMBL1809119 0.84 CA12 (0.43) KDM4CKDM4A
SCHEMBL1811023 0.80 GPR35 (0.36) GSK3AGSK3BKDM5AKDM5BSLC22A12
SCHEMBL1812763 0.70 KDM4E (0.39) GSK3BKDM4C
SCHEMBL1812865 0.69 MRGPRX4 (0.51) MRGPRX4
SCHEMBL1809745 0.68 CA12 (0.45) MRGPRX4
SCHEMBL309329 0.68 HSD17B10 (0.36) RARBRARARARG
SCHEMBL8913807 0.67 PLAU (0.46) RARBRARARARG
SCHEMBL1813484 0.66 PDE4B (0.40)
SCHEMBL18031242 0.66 PDE4B (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910375-B1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK SHARP & DOHME (US) 2011-05-11 EP disclosed
US-7935712-B2 Spirochromanone derivatives as acetyl coenzyme A carboxylase (ACC) inhibitors MERCK SHARP & DOHME CORP. (US) 2011-05-03 US disclosed
US-20090131464-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK SHARP & DOHME LLC 2009-05-21 US disclosed
US-7410976-B2 Spirochromanone derivatives MERCK & CO., INC. (US) 2008-08-12 US disclosed
EP-1910375-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS Merck & Co., Inc. (US) 2008-04-16 EP disclosed
WO-2007011809-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK & CO., INC. (US) 2007-01-25 WO disclosed
US-20070021453-A1 Novel spirochromanone derivatives MERCK SHARP & DOHME LLC 2007-01-25 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-20070021453-A1 Novel spirochromanone derivatives HSD17B7, CYP11B2, CYP11B1 GSK3A 1480/4885GSK3B 1546/4885KDM4C 4695/4885
US-20090131464-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS ACACA, ACACB, ACAT1 GSK3A 578/4885GSK3B 804/4885KDM4C 4430/4885

“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.