SCHEMBL2600463

SCHEMBL2600463

CC1=CC(CN(C)c2ccccc2)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
HSD17B3 P37058 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HTT P42858 1/20 0.32
NFE2L2 Q16236 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GRM5 P41594 1/20 0.31
TAAR1 Q96RJ0 2/20 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
SCHEMBL16390699 0.80 ALDH1A1 (0.40) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL2600461 0.74 CA12 (0.40) CA12CA2CA9MEN1KMT2A
SCHEMBL12684665 0.69
SCHEMBL29794353 0.67
SCHEMBL2600450 0.67 CYP1A2 (0.41) CA12CA2CA9MEN1KMT2A
SCHEMBL1030304 0.65 LMNA (0.51) CA12CA2CA9MEN1KMT2A
SCHEMBL2552988 0.64 RAB9A (0.40) MEN1KMT2AALDH1A1NFE2L2LMNA
SCHEMBL12225935 0.64 PTGIR (0.43) CA12CA2CA9MEN1KMT2A
SCHEMBL24537833 0.63 CA12 (0.38) CA12CA2CA9MEN1KMT2A
SCHEMBL2555147 0.63 FAAH (0.49) CA12CA2CA9KMT2AALDH1A1

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-8163944-B2 Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions UNIVERSITY OF MARYLAND COLLEGE PARK (US) 2012-04-24 US disclosed
US-8163944-B2 Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions UNIVERSITY OF MARYLAND COLLEGE PARK (US) 2012-04-24 US disclosed
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2009-04-09 US disclosed
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2009-04-09 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 (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-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions CYP11B2, DHCR7, ZDHHC7 CA12 1219/4885CA2 2428/4885CA9 2876/4885

“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.