SCHEMBL4101697

SCHEMBL4101697

CCc1cc(-c2ccc3c(c2)CC(CC(=O)NCc2ccccn2)C3=O)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.57
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
PDE4D Q08499 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
HPGD P15428 2/20 0.42
RECQL P46063 1/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL4095452 0.89 HSD17B1 (0.71) HSD17B1KMT2AMEN1HPGDRECQL
SCHEMBL4102704 0.86 HSD17B1 (0.55) HSD17B1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL4104783 0.84 HSD17B1 (0.80) HSD17B1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL4085986 0.79 HSD17B1 (0.53) HSD17B1ACHE
SCHEMBL4093483 0.76 HSD17B1 (0.50) HSD17B1KMT2AMEN1ALDH1A1PDE4D
SCHEMBL4096025 0.75 HSD17B1 (0.69) HSD17B1KMT2AMEN1ALDH1A1
SCHEMBL4103497 0.75 KMT2A (0.53) HSD17B1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL4095854 0.72 HSD17B1 (1.00) HSD17B1ALDH1A1HPGDKDM4EMAPT
SCHEMBL13774778 0.70 HSD17B1 (0.73) HSD17B1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4095859 0.70 HSD17B1 (0.57) HSD17B1ACHEHPGD

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-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 HSD17B1 4/4885KMT2A 2145/4885MEN1 1122/4885

“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.