SCHEMBL1815455

SCHEMBL1815455

COc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC(=O)c3cc(-c5nn[nH]n5)ccc3O4)c3ccccc3n2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 10/20 0.65
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RAB9A P51151 2/20 0.47

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
SCHEMBL1815458 0.88 KMT2A (0.56) ACACAKMT2AKDM4EALDH1A1HPGD
SCHEMBL742628 0.76 ACACB (0.51) ACACA
SCHEMBL14625541 0.74 ACACB (0.39) ACACAKMT2A
SCHEMBL5529559 0.74 KMT2A (0.83) ACACAKMT2AKDM4EALDH1A1HPGD
SCHEMBL743841 0.73 ACACB (0.50) ACACA
SCHEMBL8237905 0.73 KMT2A (0.84) KMT2AKDM4EALDH1A1HPGDNPSR1
SCHEMBL741034 0.72 ACACB (0.49) ACACA
SCHEMBL3493506 0.71 ACACB (0.47) ACACA
SCHEMBL3493508 0.71 ACACB (0.47) ACACA
SCHEMBL1815197 0.70 ACACB (0.48) ACACA

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 13 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-7935712-B2 Spirochromanone derivatives as acetyl coenzyme A carboxylase (ACC) inhibitors MERCK SHARP & DOHME CORP. (US) 2011-05-03 US 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-20090131464-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK SHARP & DOHME LLC 2009-05-21 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
US-7410976-B2 Spirochromanone derivatives MERCK & CO., INC. (US) 2008-08-12 US disclosed
US-7410976-B2 Spirochromanone derivatives MERCK & CO., INC. (US) 2008-08-12 US disclosed
US-20070021453-A1 Novel spirochromanone derivatives MERCK SHARP & DOHME LLC 2007-01-25 US disclosed
US-20070021453-A1 Novel spirochromanone derivatives MERCK SHARP & DOHME LLC 2007-01-25 US 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 ACACA 27/4885KMT2A 3449/4885KDM4E 3988/4885
US-20090131464-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS ACACA, ACACB, ACAT1 ACACA 1/4885KMT2A 2873/4885KDM4E 3924/4885

“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.