SCHEMBL9916022

SCHEMBL9916022

C=CC(=O)OCC(=O)N1C(=O)CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 4/20 0.33
HIF1A Q16665 4/20 0.33
TP53 P04637 3/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 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
SCHEMBL9916001 0.79 TSHR (0.33) TSHRHPGDALDH1A1HIF1ATP53
SCHEMBL9915998 0.78 TSHR (0.32) TSHRHPGDALDH1A1HIF1ATP53
SCHEMBL9915999 0.77 HPGD (0.30) TSHRHPGD
SCHEMBL9916021 0.77 TSHR (0.36) TSHRHPGDALDH1A1HIF1ATP53
SCHEMBL9916117 0.76 ALOX15 (0.31) ALOX15
SCHEMBL9916002 0.75 ALDH1A1 (0.33) ALDH1A1THRBSMN1; SMN2
SCHEMBL9916007 0.73 ALDH1A1 (0.32) ALDH1A1THRBSMN1; SMN2
SCHEMBL9915984 0.73 GSK3B (0.35)
SCHEMBL775271 0.70 TDP1 (0.41) TSHRALDH1A1HIF1ATP53CYP3A4
SCHEMBL775394 0.68 LMNA (0.54) ALDH1A1

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 8 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-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-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-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-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 TSHR 3318/4885HPGD 599/4885ALDH1A1 3234/4885

“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.