SCHEMBL1203775

SCHEMBL1203775

Nc1ccc(C(CC2CO2)(CC2CO2)c2ccc(N)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
HIF1A Q16665 1/20 0.36
KIF11 P52732 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPK1 P28482 1/20 0.31
GFER P55789 1/20 0.30
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 1/20 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
SCHEMBL10788154 0.86 PSMD14 (0.36) TSHRMEN1KMT2AALDH1A1MAPK1
SCHEMBL12971136 0.84 MAPT (0.36) MAPTHPGDTSHRMEN1KMT2A
SCHEMBL2182038 0.79 TP53 (0.33) MAPTHPGDTSHRMEN1KMT2A
SCHEMBL25359833 0.79 MEN1 (0.45) MAPTHPGDTSHRMEN1KMT2A
SCHEMBL152413 0.79
SCHEMBL16752050 0.77
SCHEMBL8847331 0.77 MEN1 (0.32) MEN1KMT2A
SCHEMBL16752011 0.76
SCHEMBL16752091 0.76
SCHEMBL8848705 0.76 KIF11 (0.39) MAPTHPGDTSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3827063-A1 FAST CURING EPOXY ACRYLIC LIQUID SHIM Henkel IP & Holding GmbH (DE) 2021-06-02 EP disclosed
WO-2020023292-A1 FAST CURING EPOXY ACRYLIC LIQUID SHIM Henkel IP & Holding GmbH (DE) 2020-01-30 WO disclosed
US-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2011-02-24 US disclosed
EP-2176355-A1 THERMOSET DAMPENER MATERIAL Dow Global Technologies Inc. (US) 2010-04-21 EP disclosed
WO-2009018194-A1 THERMOSET DAMPENER MATERIAL DOW GLOBAL TECHNOLOGIES INC. (US) 2009-02-05 WO disclosed
EP-0566536-A1 Electrically conducting polymer compositions and their use Japat Ltd (CH) 1993-10-20 EP disclosed
EP-0563013-A2 N-substituted chitosane derivatives, process for preparing them and their use CIBA-GEIGY AG (CH) 1993-09-29 EP disclosed
EP-0321595-A1 Fiber reinforced thermosetting resin composition with coated fibers for improved toughness AMERICAN CYANAMID COMPANY (US) 1989-06-28 EP disclosed
US-4142034-A Epoxy resin compositions containing an amine-cyanic acid ester combination curing agent CINCINNATI MILACRON INC. (US) 1979-02-27 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-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CDK7, CDK9, CDK8 MAPT 4229/4885HPGD 3598/4885TSHR 593/4885

“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.