SCHEMBL2426817

SCHEMBL2426817

CC1=CCC(C)C(C)(C)C1CO

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
PRKCA P17252 1/20 0.32
RASGRP3 Q8IV61 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL2426813 1.00 TSHR (0.37) TSHRMAPK1PRKCARASGRP3TP53
SCHEMBL2426815 1.00 TSHR (0.37) TSHRMAPK1PRKCARASGRP3TP53
SCHEMBL9217328 0.81 TSHR (0.37) TSHRMAPK1TP53
SCHEMBL9217326 0.81 TSHR (0.37) TSHRMAPK1TP53
SCHEMBL9217333 0.81 TSHR (0.37) TSHRMAPK1TP53
SCHEMBL2426248 0.77 TSHR (0.34) TSHRMAPK1
SCHEMBL29402647 0.77 TSHR (0.34) TSHRMAPK1PRKCARASGRP3
SCHEMBL2426251 0.77 TSHR (0.34) TSHRMAPK1
SCHEMBL29403609 0.77 TSHR (0.34) TSHRMAPK1PRKCARASGRP3
SCHEMBL2426256 0.77 TSHR (0.34) TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970067-B1 SELECTIVE HYDROGENATION OF ALDEHYDES WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH & CIE (CH) 2017-08-16 EP disclosed
US-9714263-B2 Selective hydrogenation of aldehydes with Ru/bidentate ligands complexes FIRMENICH SA (CH) 2017-07-25 US disclosed
US-20160039853-A1 SELECTIVE HYDROGENATION OF ALDEHYDES WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH SA (CH) 2016-02-11 US disclosed
US-8222198-B2 Perfuming nitriles FIRMENICH SA (CH) 2012-07-17 US disclosed
EP-2134318-B1 PERFUMING NITRILES FIRMENICH & CIE (CH) 2011-09-07 EP disclosed
US-20100267607-A1 PERFUMING NITRILES FIRMENICH SA (CH) 2010-10-21 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-20160039853-A1 SELECTIVE HYDROGENATION OF ALDEHYDES WITH RU/BIDENTATE LIGANDS COMPLEXES ADH5, ADH1A, ADH1C TSHR 2305/4885MAPK1 3267/4885PRKCA 4646/4885
US-20100267607-A1 PERFUMING NITRILES TRPA1, NIT2, PNN TSHR 4517/4885MAPK1 3432/4885PRKCA 3652/4885

“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.