SCHEMBL10170069

SCHEMBL10170069

COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2cc(NC(C)=O)ccc2N3)nc2c(C3CC3)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.42
ACACA Q13085 2/20 0.42
CRBN Q96SW2 2/20 0.36
GSK3B P49841 2/20 0.35
NOX4 Q9NPH5 1/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL552021 0.91 ACACB (0.50) ACACBACACACRBNGSK3BNOX4
SCHEMBL10170059 0.88 ACACB (0.44) ACACBACACAKDM4ELMNAMEN1
SCHEMBL10170120 0.88 ACACB (0.42) ACACBACACACRBNGSK3BNOX4
SCHEMBL10170115 0.88 ACACB (0.44) ACACBACACACRBNGSK3BNOX4
SCHEMBL10169953 0.86 ACACB (0.41) ACACBACACACRBNTSHRSMN1; SMN2
SCHEMBL10170077 0.84 ACACB (0.42) ACACBACACAMEN1KMT2A
SCHEMBL10170397 0.80 ACACB (0.54) ACACBACACASMN1; SMN2KDM4ELMNA
SCHEMBL552120 0.80 ACACB (0.41) ACACBACACAGSK3BTNK2
SCHEMBL10170379 0.79 ACACB (0.53) ACACBACACAKDM4EHSD17B10USP2
SCHEMBL10170124 0.79 GSK3B (0.43) CRBNGSK3BNOX4SMN1; SMN2KDM4E

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 ACACB 3/4885ACACA 1/4885CRBN 2624/4885

“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.