SCHEMBL1593582

SCHEMBL1593582

CC(C)(C)OC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
HIF1A Q16665 1/20 0.53
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNN4 O15554 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
BCHE P06276 1/20 0.39
MIF P14174 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL28660324 0.85 CYP2C19 (0.53) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL13865452 0.81 KCNN4 (0.52) CYP2C19HIF1AKCNN4ALDH1A1MIF
SCHEMBL27708172 0.81 CYP2C19 (0.49) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL17825682 0.80 CYP2C19 (0.47) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL23094097 0.78 MAPT (0.47) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL28454952 0.78 ESR2 (0.49) CYP2C19HIF1AALDH1A1MDM4MDM2
SCHEMBL5855770 0.78 CYP2C19 (0.46) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL9502687 0.77 KCNN4 (0.49) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL1926066 0.77 CYP2C19 (0.45) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL27988566 0.77 CYP2C19 (0.42) CYP2C19HIF1AMAPTKMT2AKCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395219-B1 Cephalosporins and their homologues, process for their preparation and pharmaceutical compositions PFIZER (US) 1998-09-30 EP claimed
US-7919653-B2 Method of inhibiting nonspecific interaction between molecules on solid phase support REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2011-04-05 US disclosed
EP-2157429-A2 Method of inhibiting nonspecific interaction between molecules on solid phase support Reverse Proteomics Research Institute Co., Ltd (JP) 2010-02-24 EP disclosed
US-20060177943-A1 Method of inhibiting nonspecific interaction between molecules on solid phase support REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2006-08-10 US disclosed
EP-1553412-A1 METHOD OF INHIBITING NONSPECIFIC INTERACTION BETWEEN MOLECULES ON SOLID PHASE SUPPORT Reverse Proteomics Research Institute Co., Ltd (JP) 2005-07-13 EP 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-20060177943-A1 Method of inhibiting nonspecific interaction between molecules on solid phase support CD2BP2, CD14, SPR CYP2C19 4397/4885HIF1A 2663/4885MAPT 4855/4885

“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.