SCHEMBL4086212

SCHEMBL4086212

CCc1cc(-c2ccc(C(=O)CCC(=O)NCCc3ccccn3)cc2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.60
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 2/20 0.48
ALDH1A1 P00352 4/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
GAA P10253 1/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
NAMPT P43490 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL4085811 0.90 HSD17B1 (0.67) HSD17B1KMT2AMEN1MAPTALDH1A1
SCHEMBL4085481 0.87 MAPT (0.47) HSD17B1KMT2AMEN1MAPTALDH1A1
SCHEMBL4094136 0.81 HSD17B1 (0.82) HSD17B1KMT2AMEN1ALDH1A1GAA
SCHEMBL4102509 0.81 HSD17B1 (0.62) HSD17B1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL4103497 0.77 KMT2A (0.53) HSD17B1KMT2AMEN1MAPTALDH1A1
SCHEMBL4091376 0.76 SMN1; SMN2 (0.53) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL4100562 0.75 KMT2A (0.55) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL4091894 0.75 HSD17B1 (1.00) HSD17B1MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL9779435 0.74 KMT2A (0.60) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL4093511 0.72 HSD17B1 (0.67) HSD17B1KMT2AMEN1ALDH1A1SMN1; SMN2

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.