SCHEMBL95163

SCHEMBL95163

CCOC(=O)c1[nH]c(C=O)c(C(=O)OCC)c1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 1/20 0.62
RAB9A P51151 5/20 0.53
HPGD P15428 4/20 0.53
NPC1 O15118 4/20 0.53
MAPT P10636 4/20 0.53
KDM4E B2RXH2 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
CYP1A2 P05177 1/20 0.52
XBP1 P17861 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MEN1 O00255 1/20 0.50
CSF1R P07333 1/20 0.49
IGF1R P08069 1/20 0.49

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
SCHEMBL12232195 0.92 ALDH1A1 (0.52) ALDH1A1KMT2APOLBRAB9AHPGD
SCHEMBL1126706 0.86 ALDH1A1 (0.62) ALDH1A1KMT2ARAB9AHPGDNPC1
SCHEMBL4460442 0.84 ALDH1A1 (0.75) ALDH1A1KMT2APOLBRAB9AHPGD
SCHEMBL29757646 0.81 RAB9A (0.56) ALDH1A1KMT2ARAB9AHPGDNPC1
SCHEMBL1126748 0.81 ALDH1A1 (0.56) ALDH1A1KMT2APOLBRAB9AHPGD
SCHEMBL24584793 0.81 ALDH1A1 (0.56) ALDH1A1KMT2ARAB9AHPGDNPC1
SCHEMBL1127449 0.79 ALDH1A1 (0.53) ALDH1A1KMT2APOLBRAB9AHPGD
SCHEMBL4457671 0.79 ALDH1A1 (0.70) ALDH1A1KMT2APOLBRAB9AHPGD
SCHEMBL1126493 0.79 MAPT (0.53) ALDH1A1KMT2ARAB9AHPGDNPC1
SCHEMBL4465025 0.79 ALDH1A1 (0.56) ALDH1A1KMT2APOLBRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003035614-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
WO-2008076278-A2 METHODS OF CANCER TREATMENT WITH IGF1R INHIBITORS SCHERING CORPORATION (US) 2008-06-26 WO disclosed
WO-2003035614-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 (2 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 ALDH1A1 1627/4885KMT2A 576/4885POLB 2278/4885
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer BRCA1, VHL, TP53 ALDH1A1 484/4885KMT2A 2332/4885POLB 999/4885

“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.