SCHEMBL1815458

SCHEMBL1815458

COc1ccc(-c2cc(C(=O)N3CCC4([CH]C(=O)c5cc(-c6nn[nH]n6)ccc5O4)CC3)c3ccccc3n2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
ACACA Q13085 2/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 3/20 0.47
DHODH Q02127 1/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
POLB P06746 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42

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
SCHEMBL1815455 0.88 ACACA (0.65) KMT2AACACAALDH1A1KDM4ENPSR1
SCHEMBL5529559 0.73 KMT2A (0.83) KMT2AACACAALDH1A1KDM4ENPSR1
SCHEMBL8237905 0.72 KMT2A (0.84) KMT2AALDH1A1KDM4ENPSR1HPGD
SCHEMBL5534950 0.68 KDM4E (0.89) KMT2AALDH1A1KDM4ENPSR1HPGD
SCHEMBL5532737 0.67 KMT2A (0.74) KMT2AALDH1A1KDM4ENPSR1HPGD
SCHEMBL5527489 0.67 ACACB (0.79) KMT2AALDH1A1KDM4ENPSR1HPGD
SCHEMBL14437452 0.67 KMT2A (0.69) KMT2AALDH1A1KDM4ENPSR1HPGD
SCHEMBL6161790 0.66 KMT2A (0.83) KMT2AALDH1A1KDM4ENPSR1HPGD
SCHEMBL1812767 0.66 ACACB (0.40) ACACA
SCHEMBL5530240 0.66 BCHE (0.83) KMT2AALDH1A1KDM4ENPSR1HPGD

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090131464-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS ACACA, ACACB, ACAT1 KMT2A 2873/4885ACACA 1/4885ALDH1A1 99/4885

“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.