SCHEMBL3585089

SCHEMBL3585089

COc1ccc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
S100B P04271 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP2A6 P11509 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL13368811 1.00 RAB9A (0.52) RAB9AKMT2ANPC1GRIN2DGRIN3B
SCHEMBL3585101 1.00 RAB9A (0.52) RAB9AKMT2ANPC1GRIN2DGRIN3B
SCHEMBL3585094 1.00 RAB9A (0.52) RAB9AKMT2ANPC1GRIN2DGRIN3B
SCHEMBL4891614 1.00 RAB9A (0.52) RAB9AKMT2ANPC1GRIN2DGRIN3B
SCHEMBL4891605 1.00 RAB9A (0.52) RAB9AKMT2ANPC1GRIN2DGRIN3B
SCHEMBL1129966 0.86 KMT2A (0.59) RAB9AKMT2ANPC1GRIN2DGRIN3B
SCHEMBL1129964 0.86 KMT2A (0.59) RAB9AKMT2ANPC1GRIN2DGRIN3B
SCHEMBL19233521 0.84 KMT2A (0.62) RAB9AKMT2ANPC1GRIN2DGRIN3B
SCHEMBL31351734 0.81 KMT2A (0.49) RAB9AKMT2AGRIN2DGRIN3BGRIN1
SCHEMBL31351777 0.81 KMT2A (0.49) RAB9AKMT2AGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714167-B2 Catalytic asymmetric epoxidation UNIVERSITY OF CHICAGO (US) 2010-05-11 US disclosed
US-7714167-B2 Catalytic asymmetric epoxidation UNIVERSITY OF CHICAGO (US) 2010-05-11 US disclosed
EP-1706205-B1 A CATALYTICAL ASYMMETRIC EPOXIDATION UNIV CHICAGO (US) 2008-10-29 EP disclosed
US-20070203347-A1 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-08-30 US disclosed
US-20070203347-A1 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-08-30 US disclosed
US-20070203347-A1 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-08-30 US disclosed
US-7202371-B2 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-04-10 US disclosed
US-7202371-B2 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-04-10 US disclosed
US-7202371-B2 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-04-10 US disclosed
US-20050159607-A1 Catalytic asymmetric epoxidation JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-07-21 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-20070203347-A1 Catalytic asymmetric epoxidation DUOX1, DUOX2, EPHX2 RAB9A 3452/4885KMT2A 2010/4885NPC1 4764/4885
US-20050159607-A1 Catalytic asymmetric epoxidation DUOX1, DUOX2, EPHX2 RAB9A 3452/4885KMT2A 2010/4885NPC1 4764/4885

“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.