SCHEMBL12632010

SCHEMBL12632010

CCOC(C)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.45
DRD3 P35462 1/20 0.44
MAPK1 P28482 1/20 0.43
RPS6KA2 Q15349 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL563821 0.84 KMT2A (0.47) KMT2AALDH1A1DRD3MAPK1RPS6KA2
SCHEMBL38655243 0.83 RAB9A (0.55) KMT2AALDH1A1MAPK1RAB9ANPC1
SCHEMBL14960666 0.82 KMT2A (0.50) KMT2AALDH1A1MAPK1RPS6KA2RAB9A
SCHEMBL8240062 0.81 ALDH1A1 (0.51) KMT2AALDH1A1DRD3MAPK1RPS6KA2
SCHEMBL18658571 0.81 KMT2A (0.44) KMT2AALDH1A1DRD3MAPK1RPS6KA2
SCHEMBL19985874 0.81 MAOB (0.49) RAB9A
SCHEMBL22355050 0.79 DRD3 (0.44) KMT2AALDH1A1DRD3MAPK1RPS6KA2
SCHEMBL8862776 0.79 TDP1 (0.48) KMT2AALDH1A1MAPK1RAB9ANPC1
SCHEMBL8862689 0.79 TDP1 (0.48) KMT2AALDH1A1MAPK1RAB9ANPC1
SCHEMBL4482770 0.77 ALDH1A1 (0.53) KMT2AALDH1A1DRD3RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170088652-A1 (ETHYLENE, VINYL ACETAL) COPOLYMERS AND THEIR USE IN LITHOGRAPHIC PRINTING PLATE PRECURSORS AGFA OFFSET BV (BE) 2017-03-30 US disclosed
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
US-20130252935-A1 Monobactams PFIZER INC. (US) 2013-09-26 US disclosed
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
US-20120302542-A1 MONOBACTAMS PFIZER INC 2012-11-29 US disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 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 (4 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE KMT2A 2621/4885ALDH1A1 587/4885DRD3 4519/4885
US-20130252935-A1 Monobactams MGAM, MGAM2, BPGM KMT2A 608/4885ALDH1A1 1829/4885DRD3 3843/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM KMT2A 608/4885ALDH1A1 1829/4885DRD3 3843/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM KMT2A 608/4885ALDH1A1 1829/4885DRD3 3843/4885

“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.