SCHEMBL9917060

SCHEMBL9917060

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

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL775143 0.74 ALDH1A1 (0.38) TSHRALDH1A1THRBKMT2AATM
SCHEMBL774982 0.73 TDP1 (0.41) TSHRALDH1A1THRBKMT2AATM
SCHEMBL9916019 0.71 THRB (0.37) TSHRALDH1A1THRBKMT2AATM
SCHEMBL775129 0.71 LMNA (0.53) ALDH1A1THRBKMT2A
SCHEMBL7719984 0.70 THRB (0.42) TSHRALDH1A1THRBKMT2AATM
SCHEMBL774997 0.70 ALDH1A1 (0.38) TSHRALDH1A1KMT2AATM
SCHEMBL775270 0.70 LMNA (0.47) ALDH1A1KMT2A
SCHEMBL775151 0.70 ALDH1A1 (0.37) TSHRALDH1A1THRBKMT2AATM
SCHEMBL775398 0.70 ALDH1A1 (0.37) TSHRALDH1A1THRBKMT2AATM
SCHEMBL774846 0.69 ALDH1A1 (0.37) TSHRALDH1A1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3318/4885ALDH1A1 3234/4885THRB 2398/4885

“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.