SCHEMBL5437471

SCHEMBL5437471

C=CCC(CCCC)OC([NH])=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
PRKCA P17252 1/20 0.37
PRKCD Q05655 1/20 0.37
CTSK P43235 4/20 0.36
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.34
FAAH O00519 1/20 0.34
LMNA P02545 3/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLA2G2C Q5R387 1/20 0.32

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
SCHEMBL7593898 0.88 TSHR (0.39) TSHRPRKCAPRKCDCTSKMAPK1
SCHEMBL3217709 0.84 PRKCA (0.43) TSHRPRKCACTSKMAPK1MAPT
SCHEMBL8058797 0.84 TSHR (0.39) TSHRPRKCAPRKCDCTSKMAPK1
SCHEMBL561185 0.83 CTSK (0.40) TSHRPRKCAPRKCDCTSKMAPK1
SCHEMBL8667788 0.83 TSHR (0.49) TSHRPRKCAPRKCDCTSKMAPK1
SCHEMBL5132770 0.81 MAPT (0.45) TSHRPRKCAPRKCDCTSKMAPK1
SCHEMBL15942359 0.80 TSHR (0.40) TSHRCTSKMAPTHPGDLMNA
SCHEMBL720178 0.80 TSHR (0.41) TSHRPRKCAPRKCDCTSKMAPK1
SCHEMBL11617657 0.79 PRKCA (0.45) TSHRPRKCAMAPK1MAPTFAAH
SCHEMBL4603438 0.78 PRKCA (0.48) TSHRPRKCAMAPK1MAPTFAAH

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
US-20050090486-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-04-28 US claimed
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 US claimed
US-7166599-B2 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 US disclosed
US-20050090486-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-04-28 US disclosed
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 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-20030134838-A1 Trisubstituted pyrimidines APP, PSEN1, BACE1 TSHR 2452/4885PRKCA 4118/4885PRKCD 3443/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 TSHR 2038/4885PRKCA 4395/4885PRKCD 3480/4885

“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.