SCHEMBL10169950

SCHEMBL10169950

COc1cc2cc(C(=O)N3CCC4(CC3)NC(=O)c3cc(Br)ccc3O4)[nH]c2c(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HDAC3 O15379 5/20 0.41
HDAC4 P56524 5/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC7 Q8WUI4 5/20 0.41
HDAC2 Q92769 5/20 0.41
HDAC10 Q969S8 5/20 0.41
HDAC11 Q96DB2 5/20 0.41
HDAC8 Q9BY41 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC9 Q9UKV0 5/20 0.41
HDAC5 Q9UQL6 5/20 0.41
ACACB O00763 2/20 0.39
HRH4 Q9H3N8 4/20 0.38
P4HB P07237 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL10169936 0.88 HRH4 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10169921 0.86 KMT2A (0.49) KDM4EALDH1A1HPGDHDAC3HDAC4
SCHEMBL552211 0.78 HDAC3 (0.40) KDM4EALDH1A1HPGDHDAC3HDAC4
SCHEMBL10169946 0.77 KMT2A (0.44) KDM4EALDH1A1HPGDHDAC3HDAC4
SCHEMBL10170364 0.76 KMT2A (0.50) KDM4EHPGDHDAC3HDAC4HDAC1
SCHEMBL550917 0.76 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHDAC3HDAC4
SCHEMBL10169971 0.76 ALOX15 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL552034 0.75 ACACB (0.51) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL10169992 0.75 ACACB (0.41) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL10169937 0.75 HRH4 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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 KDM4E 2462/4885ALDH1A1 476/4885LMNA 2920/4885

“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.