SCHEMBL20152030

SCHEMBL20152030

CCCCCC(CCC)C(=O)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
EPHX2 P34913 2/20 0.56
TLR2 O60603 1/20 0.51
HDAC8 Q9BY41 5/20 0.50
HDAC3 O15379 3/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
SMO Q99835 1/20 0.50
HDAC4 P56524 1/20 0.50
CNR2 P34972 1/20 0.50
HDAC6 Q9UBN7 2/20 0.49
TSHR P16473 1/20 0.49
FAAH O00519 1/20 0.49
KMT2A Q03164 1/20 0.49
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48

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
SCHEMBL10290340 0.90 EPHX2 (0.58) EPHX2TLR2TSHRFAAHKMT2A
SCHEMBL16289859 0.90 EPHX2 (0.58) EPHX2TLR2TSHRFAAHKMT2A
SCHEMBL19197510 0.87 TSHR (0.64) CA1CA2EPHX2TSHRKMT2A
SCHEMBL5399655 0.86 CA1 (0.52) CA1CA2EPHX2HDAC8HDAC3
SCHEMBL22294656 0.84 LMNA (0.58) EPHX2TLR2CNR2TSHRFAAH
SCHEMBL12352667 0.84 LMNA (0.58) EPHX2TLR2CNR2TSHRFAAH
SCHEMBL17531100 0.82 SPHK1 (0.64) EPHX2TLR2CNR2FAAHKMT2A
SCHEMBL13933114 0.82 CA1 (0.45) CA1CA2EPHX2SMO
SCHEMBL6843706 0.81 MMP8 (0.59) CA1CA2HDAC8HDAC3HDAC1
SCHEMBL10939549 0.80 EPHX2 (0.54) EPHX2TLR2CNR2FAAHKMT2A

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 CA1 3863/4885CA2 1311/4885EPHX2 2412/4885
US-10369140-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors DGAT2, MGAT2, MGAT1 CA1 3863/4885CA2 1311/4885EPHX2 2412/4885

“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.