SCHEMBL4893947

SCHEMBL4893947

Cc1c(C(=O)O)cn(C)c1-c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
MCL1 Q07820 6/20 0.47
ACMSD Q8TDX5 1/20 0.47
CDC25B P30305 1/20 0.44
WDR5 P61964 1/20 0.42
BAD Q92934 5/20 0.42
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LDHA P00338 1/20 0.41
CNR2 P34972 1/20 0.41
MYC P01106 1/20 0.41

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
SCHEMBL4896916 0.84 MCL1 (0.41) KDM4EALDH1A1MEN1KMT2ANR4A2
SCHEMBL4892927 0.81 MYC (0.49) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4895914 0.79 MYC (0.42) KDM4EALDH1A1MEN1KMT2AMCL1
SCHEMBL4638437 0.79 ALOX5 (0.42) KDM4EMEN1KMT2A
SCHEMBL4639641 0.77 KDM4E (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4898708 0.77 POLB (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL2025180 0.75 TAS2R14 (0.47) ALDH1A1HPGD
SCHEMBL4639687 0.75 MYC (0.49) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4888733 0.74 BRD4 (0.50) ALDH1A1
SCHEMBL27321151 0.74 NR4A1 (0.58) KDM4EALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 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

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 KDM4E 4268/4885ALDH1A1 2251/4885HPGD 328/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 KDM4E 4268/4885ALDH1A1 2251/4885HPGD 328/4885

“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.