SCHEMBL16241012

SCHEMBL16241012

CC(C)(C)C1CCC(OC(=O)c2cc3c(C(F)(F)F)cc(-c4ccccc4)cc3n2O)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 4/20 0.66
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ SCN1A P35498 2/20 0.36
▸ SCN2A Q99250 2/20 0.36
▸ SCN3A Q9NY46 2/20 0.36
▸ S1PR5 Q9H228 7/20 0.35
▸ ENPP2 Q13822 2/20 0.34
▸ CYP19A1 P11511 1/20 0.33
▸ MMP12 P39900 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
SCHEMBL16241222 0.87 LDHA (0.67) LDHAMAPTSCN1ASCN2ASCN3A
SCHEMBL16240841 0.84 LDHA (0.46) LDHAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15070120 0.80 LDHA (1.00) LDHASMN1; SMN2GAA
SCHEMBL15058048 0.79 LDHA (0.77) LDHAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15058801 0.77 LDHA (0.77) LDHAMAPTSMN1; SMN2
SCHEMBL7624 0.76 LDHA (1.00) LDHAGAA
SCHEMBL15058967 0.74 LDHA (0.72) LDHANPC1RAB9ASMN1; SMN2MMP12
SCHEMBL15058822 0.74 LDHA (0.71) LDHAGAA
SCHEMBL15060018 0.72 LDHA (0.46) LDHAMAPTSMN1; SMN2GAASCN1A
SCHEMBL15059011 0.72 LDHA (0.47) LDHAMAPTGAA

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-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITA DI PISA (IT) 2014-11-20 — — US claimed
US-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITA DI PISA (IT) 2014-11-20 — — 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-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) LDHA, LDHB, IDO1 LDHA 1/4885MAPT 691/4885NPC1 4217/4885

“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.

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