SCHEMBL21694239

SCHEMBL21694239

Cc1cccc(OCC2CCC(COc3cccc(N)c3C)CC2)c1N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
CD44 P16070 1/20 0.41
MCHR1 Q99705 3/20 0.40
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
HTR2C P28335 2/20 0.38
DHFR P00374 1/20 0.36
DCPS Q96C86 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
PIK3CA P42336 1/20 0.36
MAPT P10636 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL28044111 0.91 RIPK1 (0.47) RIPK1CD44MCHR1BRD4ALDH1A1
SCHEMBL23493028 0.91 RIPK1 (0.47) RIPK1CD44MCHR1BRD4ALDH1A1
SCHEMBL28474252 0.91 RIPK1 (0.47) RIPK1MCHR1BRD4ALDH1A1HTR2C
SCHEMBL21694263 0.90 RIPK1 (0.46) RIPK1CD44MCHR1BRD4ALDH1A1
SCHEMBL21694298 0.87 RIPK1 (0.48) RIPK1MCHR1BRD4ALDH1A1GLA
SCHEMBL21694248 0.84 MCHR1 (0.55) RIPK1MCHR1BRD4ALDH1A1GLA
SCHEMBL21694015 0.82 RIPK1 (0.43) RIPK1MCHR1HTR2CTSHR
SCHEMBL21694175 0.82 RIPK1 (0.43) RIPK1MCHR1BRD4ALDH1A1GLA
SCHEMBL21694161 0.82 CD44 (0.48) CD44ALDH1A1CYP3A4TSHRPIK3CA
SCHEMBL21694190 0.82 CD44 (0.48) CD44ALDH1A1CYP3A4TSHRPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3835336-B1 EPOXY COMPOUND, EPOXY RESIN, EPOXY RESIN COMPOSITION, CURED RESIN PRODUCT, PREPREG, FIBER-REINFORCED COMPOSITE MATERIAL, AND PRODUCTION METHOD FOR THESE TEIJIN LTD (JP) 2022-05-04 EP disclosed
US-11319404-B2 Epoxy compound, epoxy resin, epoxy resin composition, cured resin product, prepreg, fiber-reinforced composite material, and production methods for these TEIJIN LIMITED (JP) 2022-05-03 US disclosed
US-20210292471-A1 EPOXY COMPOUND, EPOXY RESIN, EPOXY RESIN COMPOSITION, CURED RESIN PRODUCT, PREPREG, FIBER-REINFORCED COMPOSITE MATERIAL, AND PRODUCTION METHODS FOR THESE TEIJIN LIMITED (JP) 2021-09-23 US disclosed
EP-3835336-A1 EPOXY COMPOUND, EPOXY RESIN, EPOXY RESIN COMPOSITION, CURED RESIN PRODUCT, PREPREG, FIBER-REINFORCED COMPOSITE MATERIAL, AND PRODUCTION METHOD FOR THESE Teijin Limited (JP) 2021-06-16 EP disclosed
WO-2020032090-A1 EPOXY COMPOUND, EPOXY RESIN, EPOXY RESIN COMPOSITION, CURED RESIN PRODUCT, PREPREG, FIBER-REINFORCED COMPOSITE MATERIAL, AND PRODUCTION METHOD FOR THESE 帝人株式会社 2020-02-13 WO 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-11319404-B2 Epoxy compound, epoxy resin, epoxy resin composition, cured resin product, prepreg, fiber-reinforced composite material, and production methods for these RER1, CBR3, CBR1 RIPK1 4446/4885CD44 4341/4885MCHR1 1258/4885
US-20210292471-A1 EPOXY COMPOUND, EPOXY RESIN, EPOXY RESIN COMPOSITION, CURED RESIN PRODUCT, PREPREG, FIBER-REINFORCED COMPOSITE MATERIAL, AND PRODUCTION METHODS FOR THESE RER1, CBR3, CBR1 RIPK1 4461/4885CD44 4346/4885MCHR1 1171/4885

“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.