SCHEMBL776629

SCHEMBL776629

CCC(C)(C)C(=O)OCC(=O)N1C(=O)C2CCCC21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.34
FKBP1A P62942 5/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.32
ENO1 P06733 1/20 0.32
HTT P42858 1/20 0.32
F2 P00734 1/20 0.32
RIPK1 Q13546 2/20 0.32
RECQL P46063 1/20 0.31
CCR2 P41597 1/20 0.30
MEN1 O00255 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
SCHEMBL9916046 0.97 HMGCR (0.37) HMGCRFKBP1AKMT2AALDH1A1ENO1
SCHEMBL9916034 0.96 HMGCR (0.36) HMGCRFKBP1AKMT2AALDH1A1ENO1
SCHEMBL9916049 0.96 HMGCR (0.36) HMGCRFKBP1AKMT2AALDH1A1ENO1
SCHEMBL9916045 0.84 FKBP1A (0.35) HMGCRFKBP1AKMT2AALDH1A1ENO1
SCHEMBL9916052 0.82
SCHEMBL9916028 0.79 RIPK1 (0.44) FKBP1ARIPK1CCR2
SCHEMBL9916039 0.78 FKBP1A (0.36) FKBP1ARIPK1CCR2
SCHEMBL9916147 0.78 HTT (0.35) KMT2AALDH1A1HTTF2RECQL
SCHEMBL9916041 0.76 HMGCR (0.31) HMGCRFKBP1A
SCHEMBL9916025 0.76 RIPK1 (0.44) FKBP1AKMT2ARIPK1CCR2

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 5 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
US-20120070778-A1 RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-22 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 414/4885FKBP1A 461/4885KMT2A 1448/4885

“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.