SCHEMBL94996

SCHEMBL94996

CCOC(=O)c1c(C=O)[nH]c(C(=O)OC(C)(C)C)c1CC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 1.00
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.43
HPGD P15428 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL7253205 0.89 IGF1R (0.80) IGF1RALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL14195910 0.89 IGF1R (0.80) IGF1RALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL4494376 0.88 IGF1R (0.79) IGF1RALDH1A1KMT2APOLBMAPK1
SCHEMBL4208158 0.86 IGF1R (0.76) IGF1RALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL3131054 0.86 ALDH1A1 (0.78) IGF1RALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL13919302 0.86 IGF1R (0.76) IGF1RALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL7122759 0.86 IGF1R (0.76) IGF1RALDH1A1SMN1; SMN2MAPK1HPGD
SCHEMBL7114812 0.85 IGF1R (0.73) IGF1RALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL4205450 0.84 IGF1R (0.71) IGF1RALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL7122223 0.83 IGF1R (0.71) IGF1RALDH1A1KMT2APOLBSMN1; SMN2

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
WO-2003035616-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 WO claimed
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer MERCK SHARP & DOHME (US) 2015-04-02 US disclosed
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer MERCK SHARP & DOHME (US) 2015-04-02 US disclosed
US-20120058112-A1 ANTIBODIES MERCK SHARP & DOHME CORP. 2012-03-08 US disclosed
US-20120058112-A1 ANTIBODIES MERCK SHARP & DOHME CORP. 2012-03-08 US disclosed
US-20110262525-A1 METHODS OF TREATMENT SCHERING CORPORATION (US) 2011-10-27 US disclosed
US-20110262525-A1 METHODS OF TREATMENT SCHERING CORPORATION (US) 2011-10-27 US disclosed
WO-2003035616-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 WO 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-20120058112-A1 ANTIBODIES IGF1R, EGFR, ERBB3 IGF1R 1/4885ALDH1A1 1627/4885KMT2A 576/4885
US-20110262525-A1 METHODS OF TREATMENT ASAH2, FOLH1, CD44 IGF1R 2978/4885ALDH1A1 1200/4885KMT2A 2834/4885
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer BRCA1, VHL, TP53 IGF1R 4709/4885ALDH1A1 484/4885KMT2A 2332/4885

“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.