SCHEMBL16240397

SCHEMBL16240397

CCOC(=O)c1[nH]c(C)c(C(=O)c2ccco2)c1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.70
POLB P06746 1/20 0.70
LMNA P02545 3/20 0.63
RAB9A P51151 7/20 0.62
ALDH1A1 P00352 5/20 0.62
HPGD P15428 5/20 0.62
NPC1 O15118 4/20 0.62
KMT2A Q03164 2/20 0.62
HTT P42858 2/20 0.57
TSHR P16473 2/20 0.54
MEN1 O00255 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KDM4E B2RXH2 1/20 0.53
ATM Q13315 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53

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
SCHEMBL257220 0.80 RAB9A (0.79) MAPK1LMNARAB9AALDH1A1HPGD
SCHEMBL15151410 0.80 RAB9A (0.66) MAPK1POLBLMNARAB9AALDH1A1
SCHEMBL15151517 0.78 RAB9A (0.67) MAPK1POLBLMNARAB9AALDH1A1
SCHEMBL15151511 0.78 RAB9A (0.63) MAPK1POLBLMNARAB9AALDH1A1
SCHEMBL15151501 0.77 ALDH1A1 (1.00) MAPK1LMNARAB9AALDH1A1HPGD
SCHEMBL15151498 0.76 RAB9A (0.65) MAPK1LMNARAB9AALDH1A1HPGD
SCHEMBL15151542 0.76 RAB9A (0.82) MAPK1LMNARAB9AALDH1A1HPGD
SCHEMBL69310 0.75 HPGD (1.00) MAPK1POLBLMNARAB9AALDH1A1
SCHEMBL859237 0.75 NPC1 (0.61) POLBRAB9AALDH1A1HPGDNPC1
SCHEMBL15151635 0.75 RAB9A (0.71) MAPK1LMNARAB9AALDH1A1HPGD

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-2808324-A1 PYRROLE COMPOUND Kabushiki Kaisha Yakult Honsha (JP) 2014-12-03 EP disclosed
EP-2808324-A1 PYRROLE COMPOUND Kabushiki Kaisha Yakult Honsha (JP) 2014-12-03 EP disclosed
US-20140343017-A1 PYRROLE COMPOUND KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-11-20 US disclosed
US-20140343017-A1 PYRROLE COMPOUND KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-11-20 US disclosed
US-20140343017-A1 PYRROLE COMPOUND KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-11-20 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 (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-20140343017-A1 PYRROLE COMPOUND TUBB3, TUBB1, TUBB MAPK1 787/4885POLB 633/4885LMNA 4444/4885

“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.