SCHEMBL551283

SCHEMBL551283

COc1ccc2c(c1)C(=O)NC1(CCN(C(=O)c3cc(OC)c4cccc(OC)c4n3)CC1)O2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.52
ACACA Q13085 2/20 0.52
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL10170324 0.94 ACACB (0.51) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL10170263 0.93 ACACB (0.49) ACACBACACAKDM4EALDH1A1HDAC3
SCHEMBL10170306 0.93 ACACB (0.50) ACACBACACAKDM4EALDH1A1LMNA
SCHEMBL10170343 0.92 ACACB (0.50) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL10170259 0.92 ACACB (0.52) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL10170506 0.92 ACACB (0.48) ACACBACACAKDM4EALDH1A1HDAC3
SCHEMBL10170500 0.92 ACACB (0.49) ACACBACACAKDM4EALDH1A1HDAC3
SCHEMBL10170288 0.91 ACACB (0.44) ACACBACACAKDM4EALDH1A1HDAC3
SCHEMBL552034 0.91 ACACB (0.51) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL10170503 0.91 ACACB (0.49) ACACBACACAHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 US disclosed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 US disclosed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 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-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof ACACA, ACAT1, ACACB ACACB 3/4885ACACA 1/4885KDM4E 2462/4885

“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.