SCHEMBL6524082

SCHEMBL6524082

CCOC(=O)/C=C(/CC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
GALK1 P51570 1/20 0.44
CCR6 P51684 1/20 0.44
BLM P54132 1/20 0.44
MCL1 Q07820 1/20 0.44

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
SCHEMBL30040031 1.00 MAPT (0.50) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL6524085 1.00 MAPT (0.50) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL9262221 0.88 MAPT (0.49) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL9262217 0.88 MAPT (0.49) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL17881680 0.87 MAPT (0.48) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL7300693 0.87 MAPT (0.48) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL16728116 0.87 MAPT (0.51) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL24158280 0.85 MAPT (0.47) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL9581900 0.85 SMN1; SMN2 (0.47) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL9581896 0.85 SMN1; SMN2 (0.47) MAPTKMT2AMEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065349-A1 Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems BUCHWALD STEPHEN L (US) 2005-03-24 US disclosed
US-6787655-B2 TRANSITION-METAL-CATALYZED ASYMMETRIC 1,4-ADDITION OF A NUCLEOPHILE, E.G., HYDRIDE, TO CYCLIC AND ACYCLIC ENOATES AND ENONES AND THE CATALYST CONTAINING A COPPER AND AN ASYMMETRIC BIDENTATE BISPHOSPHINE LIGAND MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-09-07 US disclosed
US-20030125563-A1 Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-03 US disclosed
US-6465664-B1 CATALYZED WITH A TRANSITION METAL CATALYST COMPOSED OF A COPPER COMPOUND AND AN ASYMMETRIC LIGAND, SUCH AS A PHOSPHINE, A NUCLEOPHILE AND A BASE MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2002-10-15 US disclosed
WO-2001019761-A2 ASYMMETRIC 1,4-REDUCTIONS OF AND 1,4-ADDITIONS TO ENOATES AND RELATED SYSTEMS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-03-22 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 (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-20050065349-A1 Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems APEX1, AP2A1, ENPP1 MAPT 4799/4885KMT2A 1444/4885MEN1 66/4885
US-20030125563-A1 Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems APEX1, AP2A1, ENPP1 MAPT 4799/4885KMT2A 1444/4885MEN1 66/4885

“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.