SCHEMBL4638472

SCHEMBL4638472

Cc1ccccc1-c1c(C)c(C(=O)O)cn1CCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.45
MCL1 Q07820 4/20 0.43
ALDH1A1 P00352 1/20 0.43
MYC P01106 1/20 0.42
CNR2 P34972 2/20 0.41
MAPT P10636 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BAD Q92934 3/20 0.38
NOTUM Q6P988 2/20 0.38
HPGD P15428 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
AKR1B10 O60218 1/20 0.35
TRPA1 O75762 1/20 0.35
ABCB11 O95342 1/20 0.35
DHFR P00374 1/20 0.35
LMNA P02545 1/20 0.35
MPO P05164 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL4638953 0.86 NR3C2 (0.44) NR3C2ALDH1A1CNR2MAPTMEN1
SCHEMBL1382698 0.86 NR3C2 (0.46) NR3C2ALDH1A1CNR2NOTUMGRIA2
SCHEMBL4638613 0.84 MYC (0.43) NR3C2ALDH1A1MYCCNR2MAPT
SCHEMBL4639749 0.83 CNR2 (0.46) MCL1ALDH1A1CNR2MAPTMEN1
SCHEMBL29575000 0.83 NR3C2 (0.64) NR3C2ALDH1A1CNR2HPGDPPARG
SCHEMBL4639070 0.83 PLK1 (0.42) MCL1ALDH1A1MYCCNR2MAPT
SCHEMBL17493283 0.83 NR3C2 (0.64) NR3C2ALDH1A1CNR2HPGDPPARG
SCHEMBL4638428 0.83 ALDH1A1 (0.40) MCL1ALDH1A1MYCCNR2MAPT
SCHEMBL4638449 0.82 CNR2 (0.47) ALDH1A1CNR2MAPTMEN1KMT2A
SCHEMBL2441951 0.82 BRD4 (0.41) NR3C2ALDH1A1CNR2MAPTPTGS2

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 15 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
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
CN-101006052-B Pyrrole derivatives as pharmaceutical agents EXELIXIS INC 2013-11-06 CN 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
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 NR3C2 119/4885MCL1 4607/4885ALDH1A1 2251/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 NR3C2 119/4885MCL1 4607/4885ALDH1A1 2251/4885

“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.