SCHEMBL551533

SCHEMBL551533

COC(=O)c1ccc(OCc2ccccc2)c(C(N)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.57
SMPD1 P17405 2/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
LMNA P02545 3/20 0.56
HPGD P15428 2/20 0.56
HTT P42858 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 3/20 0.50
RXRA P19793 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PARP10 Q53GL7 1/20 0.50
F2 P00734 1/20 0.49
F7 P08709 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL551475 0.89 FOLH1 (0.60) SMPD1HDAC1HDAC8HDAC6LMNA
SCHEMBL8641451 0.88 HPGD (0.57) SMPD1HDAC1HDAC8HDAC6LMNA
SCHEMBL321352 0.86 PARP1 (0.59) PARP1SMPD1HDAC1HDAC8HDAC6
SCHEMBL383025 0.86 HPGD (0.54) SMPD1HDAC1HDAC8HDAC6LMNA
SCHEMBL6687841 0.86 SMPD1 (0.65) SMPD1HDAC1HDAC8HDAC6LMNA
SCHEMBL2188210 0.85 SMPD1 (0.76) SMPD1HDAC1HDAC8HDAC6LMNA
SCHEMBL3245222 0.85 SMPD1 (0.67) SMPD1HDAC1HDAC8HDAC6LMNA
SCHEMBL6539001 0.85 HPGD (0.53) SMPD1HDAC1HDAC8HDAC6LMNA
SCHEMBL1646582 0.84 RXRA (0.56) SMPD1HDAC1HDAC8HDAC6LMNA
SCHEMBL15754863 0.84 HPGD (0.58) SMPD1HDAC1HDAC8HDAC6LMNA

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
EP-2310015-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF Cropsolution, Inc. (US) 2011-04-20 EP disclosed
WO-2010008521-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF CROPSOLUTION, INC. (US) 2010-01-21 WO 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 PARP1 2153/4885SMPD1 1676/4885HDAC1 110/4885

“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.