SCHEMBL13337771

SCHEMBL13337771

OCCN(CCO)c1cccc(CCCc2cccc(N(CCO)CCO)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
MCL1 Q07820 1/20 0.36
OPRK1 P41145 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL11792292 0.86 DRD2 (0.42) MAPTKMT2AMEN1NR1H2NR1H3
SCHEMBL10605812 0.82 KMT2A (0.47) MAPTKMT2AMEN1GAAPKM
SCHEMBL11336034 0.82 KMT2A (0.58) MAPTKMT2AMEN1NR1H2NR1H3
SCHEMBL11330980 0.81 SIGMAR1 (0.45) ALDH1A1CYP3A4
SCHEMBL11427934 0.80 CSF3R (0.44) MAPTKMT2AMEN1F2PRSS1
SCHEMBL11427939 0.80 CSF3R (0.44) MAPTKMT2AMEN1F2PRSS1
SCHEMBL11786942 0.79 NR1H2 (0.49) NR1H2NR1H3CYP4F2CYP4A11OPRK1
SCHEMBL13337726 0.77 ALDH1A1 (0.55) TAAR1ALDH1A1CYP3A4CHRM2HTR1A
SCHEMBL9446165 0.75 ALDH1A1 (0.49) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL24046313 0.75 MAPT (0.35) MAPTKMT2AMEN1F2PRSS1

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-9146467-B2 Coating compositions MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-20130236833-A1 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-09-12 US disclosed
US-8455176-B2 Coating composition AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-06-04 US disclosed
US-20100119972-A1 COATING COMPOSITION MERCK PATENT GMBH (DE) 2010-05-13 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-20100119972-A1 COATING COMPOSITION S100A9, CAPG, C5 MAPT 488/4885KMT2A 2809/4885MEN1 1222/4885

“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.