SCHEMBL15840792

SCHEMBL15840792

CN(CCN)c1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.45
KDM4E B2RXH2 5/20 0.42
MYC P01106 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 3/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 3/20 0.38
GAA P10253 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
ACE2 Q9BYF1 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL15840793 0.83 HCAR3 (0.50) HCAR3KDM4EALDH1A1POLBGAA
SCHEMBL642243 0.78 HCAR3 (0.53) HCAR3KDM4EMYCALDH1A1HTT
SCHEMBL1116007 0.77 RXRA (0.50) KDM4EALDH1A1LMNA
SCHEMBL13191913 0.72 KDM4E (0.48) HCAR3KDM4EMYCHTTRAB9A
SCHEMBL18677637 0.72 ALDH1A1 (0.51) KDM4EALDH1A1POLBGAAL3MBTL1
SCHEMBL6646574 0.71 KMT2A (0.43) HCAR3KDM4EMYCHTTPOLB
SCHEMBL1884486 0.71 HCAR3 (0.48) HCAR3KDM4EALDH1A1POLBGAA
Trimethylammonium SCHEMBL27801332 0.70 KDM4E (0.60) HCAR3KDM4EMYCALDH1A1RAB9A
Trimethylammonium SCHEMBL27602719 0.70 KDM4E (0.60) HCAR3KDM4EMYCALDH1A1RAB9A
SCHEMBL31401379 0.70 ALDH1A1 (0.52) HCAR3KDM4EMYCALDH1A1POLB

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-9493352-B2 Modular biocompatible materials for medical devices and uses thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2016-11-15 US disclosed
US-20150118268-A1 MODULAR BIOCOMPATIBLE MATERIALS FOR MEDICAL DEVICES AND USES THEREOF COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2015-04-30 US disclosed
US-8771756-B2 Biocompatible materials for medical devices COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-07-08 US disclosed
US-20140178504-A1 MODULAR BIOCOMPATIBLE MATERIALS FOR MEDICAL DEVICES AND USES THEREOF COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-06-26 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-20150118268-A1 MODULAR BIOCOMPATIBLE MATERIALS FOR MEDICAL DEVICES AND USES THEREOF NOS3, NOS1, NOS2 HCAR3 1389/4885KDM4E 2212/4885MYC 2099/4885
US-20140178504-A1 MODULAR BIOCOMPATIBLE MATERIALS FOR MEDICAL DEVICES AND USES THEREOF NOS2, NOS3, NOS1 HCAR3 1359/4885KDM4E 2901/4885MYC 3563/4885

“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.