SCHEMBL1813895

SCHEMBL1813895

COc1cc(C(=O)N2CCC3([CH]C(=O)c4cc(C(C)(C)C)ccc4O3)CC2)nc2c(OC)cccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.49
ACACA Q13085 2/20 0.49
LPAR5 Q9H1C0 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 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
SCHEMBL1813893 0.88 ACACB (0.52) ACACBACACAKMT2A
SCHEMBL10169916 0.85 ACACB (0.54) ACACBACACALMNA
SCHEMBL1812715 0.81 ACACB (0.50) ACACBACACA
SCHEMBL10169919 0.79 ACACB (0.52) ACACBACACA
SCHEMBL1809685 0.78 ACACB (0.51) ACACBACACA
SCHEMBL1811379 0.77 ACACB (0.42) ACACBACACA
SCHEMBL1814679 0.77 ACACB (0.49) ACACBACACAKMT2A
SCHEMBL1812747 0.77 HDAC3 (0.51) ACACBACACA
SCHEMBL1810137 0.77 ACACB (0.49) ACACBACACAKMT2A
SCHEMBL1811464 0.76 ACACB (0.50) ACACBACACA

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 5 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
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 ACACB 37/4885ACACA 27/4885LPAR5 3764/4885
US-20090131464-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885LPAR5 3889/4885

“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.