SCHEMBL17515331

SCHEMBL17515331

CC(C)CC(=O)NCC1=CC=CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.47
HTT P42858 1/20 0.43
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTPN1 P18031 1/20 0.38
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
PSMB5 P28074 1/20 0.33
PREP P48147 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL27388403 0.80
SCHEMBL13449492 0.79 ERCC1 (0.42) HPGDKMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL13465562 0.77 NPSR1 (0.40) HTTKMT2AALDH1A1KDM4EALOX15
SCHEMBL1571360 0.70
SCHEMBL18601747 0.69 CYP2C9 (0.37) CYP2C19
SCHEMBL17515334 0.69 HRH1 (0.30)
SCHEMBL19116810 0.68 HPGD (0.45) HPGDHTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL22860440 0.67 HPGD (0.51) HPGDHTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL18528134 0.67 CYP1A2 (0.40) KMT2ASMN1; SMN2ALDH1A1MEN1CYP1A2
SCHEMBL5866871 0.67 ALDH1A1 (0.71) HPGDHTTKMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046590-A1 SONIC HEDGEHOG MODULATORS MASSACHUSETTS INST TECHNOLOGY (US) 2016-02-18 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-20160046590-A1 SONIC HEDGEHOG MODULATORS SHH, GLI1, SMO HPGD 3561/4885HTT 1884/4885KMT2A 1803/4885

“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.