SCHEMBL4281827

SCHEMBL4281827

CCC(C)OC(=O)C(C(=O)O)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAOA P21397 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE4D Q08499 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
SRC P12931 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
PTGS2 P35354 1/20 0.35
USP5 P45974 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
SCHEMBL11377804 0.86 MAPT (0.43) MAPTLMNACYP1A2CYP3A4ALDH1A1
SCHEMBL4068945 0.86 MAPT (0.43) MAPTLMNAALDH1A1HTTTSHR
SCHEMBL538763 0.86 MAPT (0.52) MAPTLMNAALDH1A1TSHRSRC
SCHEMBL5165789 0.85 MAPT (0.43) MAPTCYP1A2ALDH1A1KDM4ERAB9A
SCHEMBL1155256 0.85 POLB (0.44) MAPTLMNACYP1A2CYP3A4HTT
Methane SCHEMBL11382581 0.84 MAPT (0.51) MAPTLMNAALDH1A1TSHRSRC
SCHEMBL11623149 0.82 MAPT (0.41) MAPTLMNAALDH1A1TSHRCYP2C9
SCHEMBL8475858 0.81 LMNA (0.51) MAPTLMNACYP1A2CYP3A4MAOA
SCHEMBL4279302 0.80 MAPT (0.43) MAPTLMNAALDH1A1KDM4EAKR1C3
SCHEMBL11377194 0.78 ACHE (0.49) MAPTLMNACYP1A2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT MAPT 3800/4885LMNA 1834/4885CYP1A2 4325/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT MAPT 3707/4885LMNA 1671/4885CYP1A2 4519/4885

“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.