SCHEMBL4639233

SCHEMBL4639233

CCN(CC)CCn1cc(C(=O)O)c(C)c1-c1ccccc1Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
SCN9A Q15858 1/20 0.39
KDM4E B2RXH2 2/20 0.38
BRD4 O60885 4/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
SCN1A P35498 3/20 0.37
SCN2A Q99250 3/20 0.37
SCN3A Q9NY46 3/20 0.37
PLK1 P53350 1/20 0.36
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2441951 0.85 BRD4 (0.41) MAPTBRD4ALDH1A1TSHRSCN1A
SCHEMBL4638426 0.85 CACNA1H (0.40) LMNAMAPTKDM4EBRD4ALDH1A1
SCHEMBL4639070 0.84 PLK1 (0.42) MAPTKDM4EALDH1A1TSHRSCN1A
SCHEMBL4638404 0.83 SCN1A (0.45) LMNAMAPTKDM4EALDH1A1TSHR
SCHEMBL1382588 0.82 NR3C2 (0.55) KDM4EALDH1A1POLB
SCHEMBL4639082 0.81 CNR2 (0.42) LMNAMAPTKDM4EALDH1A1TSHR
SCHEMBL4888733 0.80 BRD4 (0.50) BRD4ALDH1A1TSHRSCN1ASCN2A
SCHEMBL4638295 0.80 KMT2A (0.43) LMNAMAPTKDM4EALDH1A1TSHR
SCHEMBL4639655 0.79 KDM4E (0.44) KDM4EALDH1A1POLBL3MBTL1
SCHEMBL4638525 0.74 PLK1 (0.37) MAPTSCN9AKDM4EALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US claimed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US claimed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
CN-101006052-A Pyrrole derivatives as pharmaceutical agents EXELIXIS INC (US) 2007-07-25 CN claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
CN-101006052-A Pyrrole derivatives as pharmaceutical agents EXELIXIS INC (US) 2007-07-25 CN disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 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 (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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 LMNA 4213/4885MAPT 2014/4885SCN9A 2918/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 LMNA 4213/4885MAPT 2014/4885SCN9A 2918/4885

“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.