SCHEMBL10169945

SCHEMBL10169945

COc1cccc2c(C)c(C(=O)N3CCC4(CC3)NC(=O)c3cc(NC(C)=O)ccc3O4)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CRBN Q96SW2 2/20 0.38
HDAC3 O15379 4/20 0.37
HDAC4 P56524 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC7 Q8WUI4 4/20 0.37
HDAC2 Q92769 4/20 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
SCHEMBL10170271 0.89 MEN1 (0.45) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL10170281 0.88 KDM4E (0.44) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL10170365 0.87 MAPT (0.44) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL10169946 0.87 KMT2A (0.44) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL10169937 0.85 HRH4 (0.51) SMN1; SMN2CRBNHDAC3HDAC4HDAC1
SCHEMBL10170360 0.85 KMT2A (0.42) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL10169931 0.85 KMT2A (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL10170296 0.85 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL10170272 0.85 KDM4E (0.41) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL551806 0.84 ACACB (0.47) SMN1; SMN2TSHRCRBNHDAC3HDAC4

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 4 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-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 SMN1; SMN2 3898/4885MEN1 952/4885KMT2A 1889/4885

“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.