SCHEMBL19379596

SCHEMBL19379596

CC1(C)COC(c2ccc(-c3ccc(O)c(C4=NC(C)(C)CO4)c3)cc2)=N1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
HRH3 Q9Y5N1 4/20 0.43
CYP2D6 P10635 1/20 0.43
KDM4E B2RXH2 1/20 0.43
IL2 P60568 1/20 0.42
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
ATM Q13315 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL19287365 0.82 KDM4E (0.43) LMNAHTTMAPTHRH3CYP2D6
SCHEMBL20409590 0.81 KDM4E (0.53) LMNAHTTMAPTHRH3CYP2D6
SCHEMBL471858 0.80 KDM4E (0.60) LMNAHTTMAPTHRH3CYP2D6
SCHEMBL4472084 0.80 HTT (0.52) LMNAHTTMAPTHRH3CYP2D6
SCHEMBL20411007 0.79 HRH3 (0.54) LMNAHTTMAPTHRH3CYP2D6
SCHEMBL2088974 0.79 KDM4E (0.51) LMNAHTTMAPTHRH3CYP2D6
SCHEMBL8901428 0.78 ESR1 (0.50) LMNAHTTMAPTHRH3CYP2D6
SCHEMBL2089146 0.76 KDM4E (0.53) LMNAHTTMAPTHRH3CYP2D6
SCHEMBL4447566 0.76 KDM4E (0.51) LMNAHTTMAPTHRH3CYP2D6
SCHEMBL10837608 0.76 KDM4E (0.56) LMNAHTTMAPTHRH3CYP2D6

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-10377724-B2 Aryl halide cross-coupling method and product made therefrom KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2019-08-13 US disclosed
US-10377723-B2 Solid-supported catalyst for cross-coupling KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2019-08-13 US disclosed
US-20190161458-A1 ARYL HALIDE CROSS-COUPLING METHOD AND PRODUCT MADE THEREFROM KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2019-05-30 US disclosed
US-20190161457-A1 SOLID-SUPPORTED CATALYST FOR CROSS-COUPLING KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2019-05-30 US disclosed
US-10280147-B2 Solid-supported palladium (II) complex as a heterogeneous catalyst for cross coupling reactions and methods thereof KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2019-05-07 US disclosed
US-20170275318-A1 SOLID-SUPPORTED PALLADIUM (II) COMPLEX AS A HETEROGENEOUS CATALYST FOR CROSS COUPLING REACTIONS AND METHODS THEREOF KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2017-09-28 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 (6 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-20170275318-A1 SOLID-SUPPORTED PALLADIUM (II) COMPLEX AS A HETEROGENEOUS CATALYST FOR CROSS COUPLING REACTIONS AND METHODS THEREOF SIK1, SIK2, ULK2 LMNA 4848/4885HTT 1131/4885MAPT 3340/4885
US-20190161458-A1 ARYL HALIDE CROSS-COUPLING METHOD AND PRODUCT MADE THEREFROM ITK, SHPRH, SYMPK LMNA 4876/4885HTT 472/4885MAPT 3850/4885
US-10377723-B2 Solid-supported catalyst for cross-coupling SIK1, SIK2, SGK1 LMNA 4853/4885HTT 838/4885MAPT 3549/4885
US-20190161457-A1 SOLID-SUPPORTED CATALYST FOR CROSS-COUPLING SIK1, SIK2, SGK1 LMNA 4853/4885HTT 838/4885MAPT 3549/4885
US-10377724-B2 Aryl halide cross-coupling method and product made therefrom ITK, SHPRH, SYMPK LMNA 4876/4885HTT 472/4885MAPT 3850/4885
US-10280147-B2 Solid-supported palladium (II) complex as a heterogeneous catalyst for cross coupling reactions and methods thereof SIK1, SIK2, ULK2 LMNA 4848/4885HTT 1131/4885MAPT 3340/4885

“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.