SCHEMBL9916034

SCHEMBL9916034

CCC(C)(C)C(=O)OCC(=O)N1C(=O)C2CCCCCC21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.36
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.34
FKBP1A P62942 7/20 0.34
CCR2 P41597 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ENO1 P06733 1/20 0.32
F2 P00734 1/20 0.31
RIPK1 Q13546 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL9916049 1.00 HMGCR (0.36) HMGCRKMT2AHTTFKBP1ACCR2
SCHEMBL9916046 0.99 HMGCR (0.37) HMGCRKMT2AHTTFKBP1ACCR2
SCHEMBL776629 0.96 HMGCR (0.34) HMGCRKMT2AHTTFKBP1ACCR2
SCHEMBL9916045 0.88 FKBP1A (0.35) HMGCRKMT2AHTTFKBP1ACCR2
SCHEMBL9916052 0.81
SCHEMBL9916024 0.79 RIPK1 (0.43) FKBP1ACCR2RIPK1POLB
SCHEMBL9916031 0.79 RIPK1 (0.43) FKBP1ACCR2RIPK1POLB
SCHEMBL15460036 0.78 EPHX2 (0.39) KMT2AHTTF2TP53
SCHEMBL9916025 0.78 RIPK1 (0.44) KMT2AFKBP1ACCR2RIPK1KDM4E
SCHEMBL9916037 0.77 CCR2 (0.34) HMGCRKMT2AFKBP1ACCR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859183-B2 N-acyl-β-lactam derivative, macromolecular compound, and photoresist composition KURARAY CO., LTD. (JP) 2014-10-14 US disclosed
US-8753794-B2 N-acyl-β-lactam derivative, macromolecular compound, and photoresist composition KURARAY CO., LTD. (JP) 2014-06-17 US disclosed
US-20140038106-A1 N-ACYL-B-LACTAM DERIVATIVE, MACROMOLECULAR COMPOUND, AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2014-02-06 US disclosed
US-20120148954-A1 N-ACYL-B-LACTAM DERIVATIVE, MACROMOLECULAR COMPOUND, AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2012-06-14 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 (1 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-20120148954-A1 N-ACYL-B-LACTAM DERIVATIVE, MACROMOLECULAR COMPOUND, AND PHOTORESIST COMPOSITION COASY, ARCN1, CLTB HMGCR 414/4885KMT2A 1448/4885HTT 3362/4885

“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.