SCHEMBL19400511

SCHEMBL19400511

COCCOCCOCCOCCn1cc(C(=O)NC(C)C)nn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLS O94925 8/20 0.45
DGAT1 O75907 4/20 0.44
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP13 P45452 2/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CHRNA7 P36544 2/20 0.37
PSMB8 P28062 1/20 0.37
PSMB9 P28065 1/20 0.37
PSMB5 P28074 1/20 0.37

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
SCHEMBL15223713 0.86 GLS (0.46) GLSDGAT1
SCHEMBL15223681 0.86 GLS (0.46) GLSDGAT1
SCHEMBL15223706 0.83 DGAT1 (0.40) GLSDGAT1CYP2C19ALDH1A1LMNA
SCHEMBL12391996 0.83 DGAT1 (0.39) GLSDGAT1CYP2C19ALDH1A1LMNA
SCHEMBL12391988 0.83 DGAT1 (0.39) GLSDGAT1CYP2C19ALDH1A1LMNA
SCHEMBL12287268 0.82 SCD (0.44) GLSDGAT1CYP2C19ALDH1A1LMNA
SCHEMBL12287515 0.82 SCD (0.44) GLSDGAT1CYP2C19ALDH1A1LMNA
SCHEMBL12452244 0.81 DGAT1 (0.39) GLSDGAT1MMP2MMP9MMP8
SCHEMBL12391991 0.80 DGAT1 (0.39) GLSDGAT1CYP2C19ALDH1A1LMNA
SCHEMBL25514751 0.77 PSMB8 (0.43) GLSPSMB8PSMB9PSMB5

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-11052155-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2021-07-06 US disclosed
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-17 US disclosed
US-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 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 (3 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-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L GLS 991/4885DGAT1 3441/4885MMP2 3272/4885
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L GLS 991/4885DGAT1 3441/4885MMP2 3272/4885
US-11052155-B2 Conjugates of CC-1065 analogs and bifunctional linkers PCNA, DCLRE1A, CDC5L GLS 937/4885DGAT1 3299/4885MMP2 2957/4885

“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.