SCHEMBL2990374

SCHEMBL2990374

COC(=O)C(C)C(=O)c1ccc(OC)cc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41
PLK1 P53350 1/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL27508922 0.87 HTT (0.56) HTTNPC1RAB9ATP53MEN1
SCHEMBL757099 0.83 HTT (0.55) HTTNPC1RAB9ATP53MEN1
SCHEMBL1922571 0.81 HTT (0.53) HTTNPC1RAB9ATP53MEN1
SCHEMBL18082660 0.78 PLK1 (0.56) HTTNPC1RAB9ATP53ALDH1A1
SCHEMBL17843950 0.78 HTT (0.53) HTTNPC1RAB9ATP53MEN1
SCHEMBL4767061 0.77 PLK1 (0.59) HTTNPC1RAB9AMEN1KMT2A
SCHEMBL18073993 0.77 KMT2A (0.47) HTTNPC1RAB9AMEN1KMT2A
Ammonia Solution, Strong SCHEMBL28108457 0.76 HTT (0.63) HTTNPC1RAB9ACYP3A4ALDH1A1
SCHEMBL1179412 0.76 HTT (0.58) HTTNPC1RAB9AMEN1KMT2A
SCHEMBL5945266 0.76 HTT (0.51) HTTNPC1RAB9ATP53MEN1

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-20100184771-A1 Bicyclic Heterocyclic Compound ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-22 US disclosed
EP-1961754-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 EP 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-20100184771-A1 Bicyclic Heterocyclic Compound NR3C2, NR3C1, CRHR1 HTT 2203/4885NPC1 580/4885RAB9A 3096/4885

“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.