SCHEMBL2493416

SCHEMBL2493416

Cc1[nH]c(C)c(C=O)c1C=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
ACHE P22303 1/20 0.35
ERN1 O75460 1/20 0.31
NPC1 O15118 1/20 0.31
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 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
SCHEMBL13890096 0.85 SMN1; SMN2 (0.45) SMN1; SMN2
SCHEMBL7297395 0.79 SMN1; SMN2 (0.41) SMN1; SMN2ACHEERN1
SCHEMBL7298170 0.77 SMN1; SMN2 (0.40) SMN1; SMN2
SCHEMBL11761527 0.75 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL11530404 0.73 SMN1; SMN2 (0.37) SMN1; SMN2ERN1NPC1GRIA1GRIA2
SCHEMBL21531656 0.73 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL13488597 0.72 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL7298629 0.71 LMNA (0.51) SMN1; SMN2ACHENPC1
SCHEMBL9455125 0.70 GAA (0.38) SMN1; SMN2ERN1GRIA1GRIA2GRIA3
SCHEMBL13607108 0.70 ERN1 (0.50) SMN1; SMN2ERN1GRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023126978-A1 PROCESS TO PREPARE OCTOPAMINE SULFATE DIRECTOR, NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH, GUWAHATI (NIPER-G) (IN) 2023-07-06 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9682060-B2 Small molecules that induce intrinsic pathway apoptosis THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-06-20 US disclosed
US-20170105963-A1 SMALL MOLECULES THAT INDUCE INTRINSIC PATHWAYS APOPTOSIS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-04-20 US disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
US-4017313-A Photosensitive composition containing a leuco dye, a photosensitizer, an aromatic aldehyde and a secondary or tertiary amine and the use thereof in a direct-print process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-12 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-20170105963-A1 SMALL MOLECULES THAT INDUCE INTRINSIC PATHWAYS APOPTOSIS AIFM1, VDAC1, AFG3L2 SMN1; SMN2 4192/4885ACHE 4743/4885ERN1 2045/4885

“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.