SCHEMBL10169985

SCHEMBL10169985

COc1cccc2ccc(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3O4)nc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
ACACB O00763 6/20 0.42
ACACA Q13085 1/20 0.42
PIM1 P11309 3/20 0.39
PIM2 Q9P1W9 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
NPY5R Q15761 1/20 0.38
SCD O00767 1/20 0.38

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
SCHEMBL10169992 0.89 ACACB (0.41) ACACBACACAPIM1PIM2
SCHEMBL10169913 0.89 ACACB (0.54) ALDH1A1ACACBACACANPC1RAB9A
SCHEMBL10170012 0.86 ACACB (0.39) ALDH1A1ACACBACACAPIM1PIM2
SCHEMBL10169996 0.84 ACACB (0.39) ACACBACACAPIM1PIM2
SCHEMBL10170291 0.82 ACACB (0.53) ALDH1A1ACACBACACANPC1RAB9A
SCHEMBL1681617 0.80 ALDH1A1 (0.44) ALDH1A1ACACBACACAPOLBHPGD
SCHEMBL551283 0.79 ACACB (0.52) ALDH1A1ACACBACACANPC1RAB9A
SCHEMBL10170259 0.79 ACACB (0.52) ACACBACACA
SCHEMBL552034 0.79 ACACB (0.51) ACACBACACA
SCHEMBL551407 0.78 ACACB (0.53) ACACBACACANPC1RAB9A

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 ALDH1A1 476/4885ACACB 3/4885ACACA 1/4885

“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.