SCHEMBL4664597

SCHEMBL4664597

CCc1cc(C(=O)OC)ccc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.60
PTGS2 P35354 1/20 0.57
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.47
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
PRKCZ Q05513 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
NEK1 Q96PY6 1/20 0.45
SGK1 O00141 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
HIF1A Q16665 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45

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
SCHEMBL27621631 0.87 EGFR (0.56) EGFRPTGS2MEN1KMT2ATSHR
SCHEMBL28490466 0.85 EGFR (0.51) EGFRPTGS2MEN1KMT2ATSHR
SCHEMBL10458005 0.83 PTGS2 (0.76) EGFRPTGS2MEN1KMT2ATSHR
SCHEMBL2635961 0.83 BCL2 (0.50) EGFRKMT2ARAB9AMAPTALDH1A1
SCHEMBL14832783 0.82 EGFR (0.79) EGFRPTGS2MEN1KMT2ATSHR
SCHEMBL370976 0.81 EGFR (0.50) EGFRPTGS2MEN1KMT2ATSHR
SCHEMBL4530801 0.81 MKNK1 (0.46) EGFRMEN1KMT2ATSHRMAPT
SCHEMBL10058712 0.81 EGFR (0.63) EGFRPTGS2MEN1KMT2ATSHR
SCHEMBL3748237 0.81 EGFR (0.63) EGFRPTGS2MEN1KMT2ATSHR
SCHEMBL23628969 0.79 PTGS2 (0.58) EGFRPTGS2MEN1KMT2ATSHR

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
EP-1638551-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2011-12-21 EP disclosed
EP-1638551-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-12-31 EP disclosed
US-7060697-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-13 US disclosed
EP-1638551-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-29 EP disclosed
US-20050014724-A1 Immunosuppressant compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-01-20 US disclosed
WO-2004103309-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 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 (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-20050014724-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 EGFR 197/4885PTGS2 766/4885MEN1 3884/4885

“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.