SCHEMBL1114583

SCHEMBL1114583

CCC(C)(CC(C)C)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C19 P33261 1/20 0.30

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
SCHEMBL12122738 0.87 ALDH1A1 (0.39) MMP8ALDH1A1TDP1CYP2C19
SCHEMBL19255374 0.84 MMP8 (0.35) MMP8ALDH1A1TDP1
SCHEMBL28408694 0.83 MMP8 (0.37) MMP8ALDH1A1TDP1CYP2C19
SCHEMBL19254938 0.82
SCHEMBL1716424 0.81 CYP2C19 (0.42) MMP8ALDH1A1CYP2C19
SCHEMBL14964140 0.79 MMP8 (0.35) MMP8ALDH1A1TDP1CYP2C19
SCHEMBL27413817 0.79 MMP8 (0.35) MMP8
SCHEMBL19215773 0.79 ALDH1A1 (0.33) MMP8ALDH1A1TDP1
SCHEMBL35107 0.79
SCHEMBL12618983 0.77 MMP8 (0.46) MMP8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630989-B2 Dipeptide analogs for treating conditions associated with amyloid fibril formation RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2017-04-25 US disclosed
US-20140336137-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF CARDIOXYL PHARMACEUTICALS, INC. 2014-11-13 US disclosed
US-8791134-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-07-29 US disclosed
WO-2012026622-A1 METHOD OF FORMING PATTERN AND DEVELOPER FOR USE IN THE METHOD FUJIFILM CORPORATION (JP) 2012-03-01 WO disclosed
WO-2011043481-A1 PATTERN FORMING METHOD, CHEMICAL AMPLIFICATION RESIST COMPOSITION AND RESIST FILM FUJIFILM CORPORATION (JP) 2011-04-14 WO disclosed
EP-2279217-A1 COPOLYMERS MADE WITH QUASI-LIVING POLYOLEFINS AND UNSATURATED ACIDIC REAGENTS, DISPERSANTS USING SAME, AND METHODS OF MAKING SAME Chevron Oronite Company LLC (US) 2011-02-02 EP disclosed
WO-2009129015-A1 COPOLYMERS MADE WITH QUASI-LIVING POLYOLEFINS AND UNSATURATED ACIDIC REAGENTS, DISPERSANTS USING SAME, AND METHODS OF MAKING SAME CHEVRON ORONITE COMPANY LLC (US) 2009-10-22 WO 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-20140336137-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF NOXO1, TNNI3, HAO2 MMP8 2546/4885ALDH1A1 624/4885TDP1 856/4885

“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.