SCHEMBL703098

SCHEMBL703098

O=C(O)C(CC(=O)N1CCCCC1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.62
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
GAA P10253 2/20 0.56
TSHR P16473 1/20 0.56
CACNA1H O95180 1/20 0.51
CACNA2D1 P54289 1/20 0.51
CACNA1B Q00975 1/20 0.51
CACNB1 Q02641 1/20 0.51
CACNA1C Q13936 1/20 0.51
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL26330804 0.85 HPGD (0.72) HPGDKMT2AMEN1CYP1A2CYP3A4
SCHEMBL9911025 0.81 HPGD (0.52) HPGDKMT2AMEN1CYP1A2CYP3A4
SCHEMBL14303692 0.80 HPGD (0.61) HPGDKMT2AMEN1CYP1A2CYP3A4
SCHEMBL8405468 0.79 HPGD (0.52) HPGDKMT2AMEN1CYP1A2CYP3A4
SCHEMBL8696411 0.79 POLB (0.73) HPGDKMT2AMEN1CYP1A2CYP3A4
SCHEMBL8824043 0.77 HPGD (0.55) HPGDKMT2AMEN1CYP1A2CYP3A4
SCHEMBL27772020 0.77 ALDH1A1 (0.69) KMT2AMEN1CYP3A4CYP2C19GAA
SCHEMBL5680025 0.77 HPGD (0.54) HPGDKMT2AMEN1CYP1A2CYP3A4
SCHEMBL2596926 0.77 ALDH1A1 (0.69) KMT2AMEN1CYP3A4CYP2C19GAA
SCHEMBL14826382 0.76 GAA (0.69) HPGDKMT2AMEN1CYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US claimed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US claimed

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-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT HPGD 818/4885KMT2A 1436/4885MEN1 3609/4885

“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.