Sugi Predict

Sugi Predict / Compounds / SCHEMBL12749593

SCHEMBL12749593

SCHEMBL12749593

Cc1cc(CO)c(O)c(CN(CCN(CC(=O)O)Cc2cc(C)cc(CO)c2O)CC(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.38
▸ EYA2 O00167 1/20 0.38
▸ APP P05067 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP2C19 P33261 4/20 0.37
▸ TSHR P16473 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37

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
SCHEMBL12749508 0.93 ALDH1A1 (0.37) TDP1EYA2APPACEALDH1A1
SCHEMBL10809043 0.89 ALDH1A1 (0.46) TDP1EYA2APPACEALDH1A1
SCHEMBL12761579 0.89 ALDH1A1 (0.34) TDP1EYA2APPACEALDH1A1
SCHEMBL12751844 0.89 SRC (0.33) TDP1EYA2APPACEALDH1A1
SCHEMBL12800152 0.87 ALDH1A1 (0.32) ALDH1A1EGFRERBB2
SCHEMBL5265431 0.86 EGFR (0.43) TDP1EYA2APPACEALDH1A1
SCHEMBL10033359 0.83 EGFR (0.40) TDP1EYA2APPACEALDH1A1
SCHEMBL10360605 0.82 EGFR (0.44) TDP1EYA2APPACEALDH1A1
SCHEMBL3376720 0.81 SELL (0.43) TDP1EYA2APPACEALDH1A1
SCHEMBL545256 0.78 HTT (0.48) TDP1EYA2APPACEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378134-B2 Hydroxylated contrast enhancement agents GENERAL ELECTRIC COMPANY (US) 2013-02-19 — — US disclosed
US-8378134-B2 Hydroxylated contrast enhancement agents GENERAL ELECTRIC COMPANY (US) 2013-02-19 — — US disclosed
US-20110076237-A1 Hydroxylated Contrast Enhancement Agents GENERAL ELECTRIC COMPANY (US) 2011-03-31 — — US disclosed
US-20110076237-A1 Hydroxylated Contrast Enhancement Agents GENERAL ELECTRIC COMPANY (US) 2011-03-31 — — US disclosed
US-20110077396-A1 INTERMEDIATES FOR HYDROXYLATED CONTRAST ENHANCEMENT AGENTS GENERAL ELECTRIC COMPANY (US) 2011-03-31 — — US disclosed
US-20110077417-A1 Intermediates for Hydroxylated Contrast Enhancement Agents GENERAL ELECTRIC COMPANY (US) 2011-03-31 — — 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 (3 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-20110077417-A1 Intermediates for Hydroxylated Contrast Enhancement Agents RXFP3, HCAR3, RXFP1 TDP1 954/4885EYA2 2919/4885APP 3966/4885
US-20110077396-A1 INTERMEDIATES FOR HYDROXYLATED CONTRAST ENHANCEMENT AGENTS C1R, HCAR3, C3AR1 TDP1 1195/4885EYA2 3704/4885APP 2748/4885
US-20110076237-A1 Hydroxylated Contrast Enhancement Agents C5, C1R, HAMP TDP1 4224/4885EYA2 3016/4885APP 3030/4885

“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.