SCHEMBL12545355

SCHEMBL12545355

CCc1cc(-c2ccccc2)c(-c2ccccc2)cc1CP(C(C)(C)C)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CNR2 P34972 14/20 0.34
CNR1 P21554 7/20 0.34
SIGMAR1 Q99720 1/20 0.32
OPRK1 P41145 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
SCHEMBL20970146 0.90 SIGMAR1 (0.32) MEN1KMT2ANPSR1CNR2CNR1
SCHEMBL16387011 0.82
SCHEMBL2828857 0.80 P2RX7 (0.35) MEN1KMT2ASIGMAR1OPRK1
SCHEMBL3000133 0.79 SIGMAR1 (0.33) MEN1KMT2ANPSR1ALDH1A1POLB
SCHEMBL17883720 0.79 CNR2 (0.36) ALDH1A1POLBMAPTCNR2CNR1
SCHEMBL3005852 0.77 MEN1 (0.38) MEN1KMT2ANPSR1ALDH1A1POLB
SCHEMBL29033698 0.76 ALDH1A1 (0.38) MEN1KMT2AALDH1A1OPRK1
SCHEMBL1735054 0.75 P2RX7 (0.32) MEN1KMT2AOPRK1
SCHEMBL27762631 0.72 SIGMAR1 (0.30) SIGMAR1OPRK1
SCHEMBL20970143 0.71 LMNA (0.33) ALDH1A1SIGMAR1

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-8969560-B2 Process for the carbonylation of ethylenically unsaturated compounds, novel carbonylation ligands and catalyst systems incorporating such ligands LUCITE INTERNATIONAL UK LIMITED (GB) 2015-03-03 US disclosed
US-8816113-B2 Process for the carbonylation of ethylenically unsaturated compounds, novel carbonylation ligands and catalyst systems incorporating such ligands LUCITE INTERNATIONAL UK LIMITED (GB) 2014-08-26 US disclosed
US-20120330016-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS LUCITE INTERNATIONAL UK LIMITED (GB) 2012-12-27 US disclosed
US-20110137059-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS LUCITE INTERNATIONAL UK LIMITED (GB) 2011-06-09 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 (2 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-20120330016-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS GRB2, CDK2, PDK1 MEN1 1819/4885KMT2A 3411/4885NPSR1 3406/4885
US-20110137059-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS CBR3, CBR1, XDH MEN1 3503/4885KMT2A 3585/4885NPSR1 4112/4885

“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.