SCHEMBL5864282

SCHEMBL5864282

C=CCC1(C(=O)OCC)c2ccccc2-c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
GLA P06280 1/20 0.39
ADCY8 P40145 1/20 0.38
PDK2 Q15119 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
BRD4 O60885 1/20 0.37
TDP2 O95551 3/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.37
APAF1 O14727 1/20 0.37
NSD2 O96028 1/20 0.37
ABL1 P00519 1/20 0.37
GALK1 P51570 1/20 0.37
BLM P54132 1/20 0.37
PPP1CA P62136 1/20 0.37

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
SCHEMBL5863760 0.87 CTDSP1 (0.40) MAPTALDH1A1GLAADCY8PDK2
SCHEMBL17051234 0.83 ALDH1A1 (0.46) MAPTALDH1A1GLAADCY8PDK2
SCHEMBL17051232 0.83 TSHR (0.43) MAPTALDH1A1GLAADCY8PDK2
SCHEMBL27971207 0.79 ALDH1A1 (0.40) MAPTALDH1A1GLAADCY8PDK2
SCHEMBL16034336 0.79 ALDH1A1 (0.41) MAPTALDH1A1GLAADCY8PDK2
SCHEMBL5864017 0.78 THRB (0.48) ALDH1A1PDK2MEN1KMT2ATSHR
Butane SCHEMBL28645193 0.78 THRB (0.35) MAPTALDH1A1PDK2MEN1KMT2A
SCHEMBL6649344 0.77 PDK2 (0.40) ALDH1A1PDK2MEN1KMT2AL3MBTL1
SCHEMBL17050252 0.77 APEX1 (0.41) MAPTALDH1A1GLAADCY8PDK2
Hydrochloric Acid SCHEMBL6771034 0.76 THRB (0.47) ALDH1A1PDK2MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC MAPT 4733/4885ALDH1A1 1345/4885GLA 1393/4885

“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.