SCHEMBL9916045

SCHEMBL9916045

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.35
HMGCR P04035 1/20 0.33
CHRM2 P08172 4/20 0.32
CHRM1 P11229 4/20 0.32
CHRM4 P08173 3/20 0.32
CHRM3 P20309 3/20 0.32
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CCR2 P41597 1/20 0.31
EPHX1 P07099 1/20 0.31
KMT2A Q03164 1/20 0.31
ENO1 P06733 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL9916034 0.88 HMGCR (0.36) FKBP1AHMGCRALDH1A1CCR2KMT2A
SCHEMBL9916049 0.88 HMGCR (0.36) FKBP1AHMGCRALDH1A1CCR2KMT2A
SCHEMBL9916046 0.86 HMGCR (0.37) FKBP1AHMGCRALDH1A1CCR2KMT2A
SCHEMBL776629 0.84 HMGCR (0.34) FKBP1AHMGCRALDH1A1CCR2KMT2A
SCHEMBL9915988 0.78 EPHX1 (0.40) ALDH1A1TSHREPHX1HTT
SCHEMBL9916031 0.77 RIPK1 (0.43) FKBP1ACCR2
SCHEMBL9916024 0.77 RIPK1 (0.43) FKBP1ACCR2
SCHEMBL9916025 0.76 RIPK1 (0.44) FKBP1ACCR2KMT2A
SCHEMBL9916037 0.75 CCR2 (0.34) FKBP1AHMGCRALDH1A1CCR2KMT2A
SCHEMBL9916028 0.73 RIPK1 (0.44) FKBP1ACCR2

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 FKBP1A 461/4885HMGCR 414/4885CHRM2 2987/4885

“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.