SCHEMBL21087395

SCHEMBL21087395

CC(C)(C)C(=O)Cc1cccc(CCN=[N+]=[N-])c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CTBP2 P56545 4/20 0.33
▸ CES1 P23141 1/20 0.33
▸ HTR3E A5X5Y0 1/20 0.32
▸ HTR3B O95264 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ HTR3D Q70Z44 1/20 0.32
▸ HTR3C Q8WXA8 1/20 0.32
▸ MIF P14174 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 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
SCHEMBL21087161 0.87 HDAC1 (0.36) CYP1A2CYP2C19CTBP2CES1NR1H4
SCHEMBL18751676 0.81 CYP1A2 (0.46) CYP1A2CYP2C19CTBP2CES1NR1H4
SCHEMBL13272059 0.79 PPARG (0.40) CYP1A2CYP2C19CES1PPARGPPARA
SCHEMBL13589436 0.78 PPARA (0.41) PPARGPPARAMEN1ALDH1A1KMT2A
SCHEMBL15042247 0.75 SIGMAR1 (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18116097 0.75 CYP1A2 (0.57) CYP1A2CYP2C19CES1NR1H4ALDH1A1
SCHEMBL21087169 0.74 HDAC8 (0.45) CTBP2CES1PPARGHPGD
SCHEMBL13012059 0.73 CTBP2 (0.54) CTBP2HTR3EHTR3BHTR3AHTR3D
SCHEMBL27453005 0.73 FOLH1 (0.53) ALDH1A1KMT2A
SCHEMBL13012102 0.72 CTBP2 (0.51) CYP1A2CYP2C19CTBP2KMT2A

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-20190175744-A1 INSULIN-INCRETIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2019-06-13 — — 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-20190175744-A1 INSULIN-INCRETIN CONJUGATES GIPR, GLP1R, GCGR CYP1A2 3977/4885CYP2C19 4050/4885CTBP2 358/4885

“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.

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