SCHEMBL691923

SCHEMBL691923

CCOC(=O)C12CC3CC(C1)CC(C(=O)OCC)(C3)C2

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.61
LMNA P02545 2/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.43
PRKCA P17252 1/20 0.42

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
SCHEMBL5608298 0.90 ALDH1A1 (0.59) NPSR1LMNAMEN1KMT2AL3MBTL1
SCHEMBL1073543 0.88 LMNA (0.59) NPSR1LMNAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL27039883 0.88 NPSR1 (0.54) NPSR1LMNAMEN1KMT2AL3MBTL1
SCHEMBL6229003 0.87 NPSR1 (0.49) NPSR1LMNAMEN1KMT2AL3MBTL1
SCHEMBL26451988 0.86 NPSR1 (0.49) NPSR1LMNAMEN1KMT2AL3MBTL1
SCHEMBL13913113 0.86 NPSR1 (0.55) NPSR1LMNAMEN1KMT2AL3MBTL1
SCHEMBL692491 0.85 NPSR1 (0.67) NPSR1LMNAMEN1KMT2AL3MBTL1
SCHEMBL12093424 0.84 NPSR1 (0.47) NPSR1LMNAMEN1KMT2AL3MBTL1
SCHEMBL19357068 0.84 LMNA (0.49) NPSR1LMNAMEN1KMT2AALDH1A1
SCHEMBL15432439 0.83 NPSR1 (0.46) NPSR1LMNAMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421904-B1 PROCATALYST COMPOSITION WITH ADAMANTANE AND METHOD GRACE W R & CO (US) 2015-06-24 EP disclosed
US-8288304-B2 Procatalyst composition with adamantane and method DOW GLOBAL TECHNOLOGIES LLC (US) 2012-10-16 US disclosed
US-8288304-B2 Procatalyst composition with adamantane and method DOW GLOBAL TECHNOLOGIES LLC (US) 2012-10-16 US disclosed
US-8288304-B2 Procatalyst composition with adamantane and method DOW GLOBAL TECHNOLOGIES LLC (US) 2012-10-16 US disclosed
US-20120122923-A1 DUAL MOLECULES CONTAINING A PEROXIDE DERIVATIVE, THEIR SYNTHESIS AND THERAPEUTIC USES SANOFI-AVENTIS (FR) 2012-05-17 US disclosed
US-20120122923-A1 DUAL MOLECULES CONTAINING A PEROXIDE DERIVATIVE, THEIR SYNTHESIS AND THERAPEUTIC USES SANOFI-AVENTIS (FR) 2012-05-17 US disclosed
EP-2421904-A1 PROCATALYST COMPOSITION WITH ADAMANTANE AND METHOD Dow Global Technologies LLC (US) 2012-02-29 EP disclosed
WO-2010123775-A1 PROCATALYST COMPOSITION WITH ADAMANTANE AND METHOD DOW GLOBAL TECHNOLOGIES INC. (US) 2010-10-28 WO disclosed
US-20100273966-A1 Procatalyst Composition with Adamantane and Method W. R. GRACE & CO.-CONN. 2010-10-28 US disclosed
US-20100273966-A1 Procatalyst Composition with Adamantane and Method W. R. GRACE & CO.-CONN. 2010-10-28 US disclosed
US-20100273966-A1 Procatalyst Composition with Adamantane and Method W. R. GRACE & CO.-CONN. 2010-10-28 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-20120122923-A1 DUAL MOLECULES CONTAINING A PEROXIDE DERIVATIVE, THEIR SYNTHESIS AND THERAPEUTIC USES DUOX2, DUOX1, CYP11B2 NPSR1 1237/4885LMNA 2370/4885MEN1 3699/4885

“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.