SCHEMBL10169913

SCHEMBL10169913

COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)nc2c(OC)cccc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.54
ACACA Q13085 2/20 0.54
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL10170291 0.91 ACACB (0.53) ACACBACACAALDH1A1NPC1RAB9A
SCHEMBL10170259 0.91 ACACB (0.52) ACACBACACALMNAMAPT
SCHEMBL551283 0.91 ACACB (0.52) ACACBACACAALDH1A1NPC1RAB9A
SCHEMBL552034 0.90 ACACB (0.51) ACACBACACALMNAMAPT
SCHEMBL551407 0.90 ACACB (0.53) ACACBACACANPC1RAB9ALMNA
SCHEMBL10170420 0.89 ACACB (0.51) ACACBACACA
SCHEMBL10169985 0.89 ALDH1A1 (0.43) ACACBACACAALDH1A1NPC1RAB9A
SCHEMBL10170368 0.88 ACACB (0.52) ACACBACACALMNAMAPT
SCHEMBL551034 0.88 ACACB (0.50) ACACBACACALMNAMAPT
SCHEMBL10170534 0.88 ACACB (0.50) ACACBACACANPC1TDP1LMNA

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 1/4885ALDH1A1 476/4885

“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.