SCHEMBL20152074

SCHEMBL20152074

CCCCc1ccc(OCCC(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
MAPK1 P28482 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
CASP1 P29466 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
EPHX2 P34913 1/20 0.47
S1PR1 P21453 1/20 0.46
S1PR5 Q9H228 1/20 0.46

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
SCHEMBL23966332 0.89 TDP1 (0.59) TDP1MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL26501099 0.89 TDP1 (0.59) TDP1MAPK1LMNASMN1; SMN2EPHX2
SCHEMBL2841624 0.89 TDP1 (0.68) TDP1MAPK1CYP3A4SMN1; SMN2EPHX2
SCHEMBL16933991 0.87 LMNA (0.62) MAPK1MEN1USP2ALDH1A1LMNA
SCHEMBL24089506 0.85 TDP1 (0.63) TDP1MAPK1LMNASMN1; SMN2EPHX2
SCHEMBL18896254 0.83 LMNA (0.61) MAPK1MEN1USP2ALDH1A1LMNA
SCHEMBL19043546 0.83 MEN1 (0.63) MAPK1MEN1USP2ALDH1A1LMNA
SCHEMBL8120575 0.83 TDP1 (0.53) TDP1MAPK1MEN1USP2ALDH1A1
SCHEMBL10284902 0.82 S1PR1 (0.49) MAPK1MEN1USP2ALDH1A1LMNA
SCHEMBL5023581 0.82 TDP1 (0.63) TDP1MAPK1ALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10369140-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-06 US disclosed
US-20180133198-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-17 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-20180133198-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 TDP1 4127/4885MAPK1 1083/4885MEN1 2323/4885
US-10369140-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors DGAT2, MGAT2, MGAT1 TDP1 4127/4885MAPK1 1083/4885MEN1 2323/4885

“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.