SCHEMBL934865

SCHEMBL934865

CCOC(=O)C(O)=CC(=O)c1ccc(CC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAOB P27338 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
PLK1 P53350 1/20 0.41
CA2 P00918 1/20 0.41
ESR1 P03372 1/20 0.41
CA7 P43166 1/20 0.41
ESR2 Q92731 1/20 0.41
CA14 Q9ULX7 1/20 0.41
RAB9A P51151 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL934863 1.00 ALDH1A1 (0.49) ALDH1A1MAOBSMN1; SMN2RXRARXRB
SCHEMBL6115744 0.87 ALDH1A1 (0.48) ALDH1A1MAOBSMN1; SMN2MEN1KMT2A
SCHEMBL6115747 0.87 ALDH1A1 (0.48) ALDH1A1MAOBSMN1; SMN2MEN1KMT2A
SCHEMBL934916 0.85 PTGS1 (0.42) SMN1; SMN2MEN1KMT2ACA12CA1
SCHEMBL934915 0.85 PTGS1 (0.42) SMN1; SMN2MEN1KMT2ACA12CA1
SCHEMBL3578987 0.85 MAPT (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ACA12
SCHEMBL3578988 0.85 MAPT (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ACA12
SCHEMBL4016111 0.85 MAPT (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ACA12
SCHEMBL14390483 0.84 SMN1; SMN2 (0.48) ALDH1A1MAOBSMN1; SMN2MEN1KMT2A
SCHEMBL28977277 0.84 MAPT (0.53) ALDH1A1MAOBMEN1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2012-05-24 US disclosed
EP-2451800-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE Vivalis (FR) 2012-05-16 EP disclosed
WO-2011004017-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2011-01-13 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-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE NAT1, POLM, PYGL ALDH1A1 1657/4885MAOB 1851/4885SMN1; SMN2 2980/4885

“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.