SCHEMBL9219794

SCHEMBL9219794

COCCc1cc(C)[nH]c1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
GAA P10253 3/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 7/20 0.36
HPGD P15428 5/20 0.36
HSD17B10 Q99714 5/20 0.36
KDM4E B2RXH2 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HCAR2 Q8TDS4 1/20 0.36
TSHR P16473 1/20 0.34
RAF1 P04049 1/20 0.34
MAPK14 Q16539 1/20 0.34
KMT2A Q03164 2/20 0.33
GLA P06280 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL16240346 0.83 LMNA (0.42) MAPTGAAMAPK1ALDH1A1HPGD
SCHEMBL23923776 0.73 ALDH1A1 (0.43) MAPTGAAALDH1A1HPGDHSD17B10
SCHEMBL9454817 0.71 ALDH1A1 (0.43) MAPTGAAMAPK1ALDH1A1HPGD
SCHEMBL11649989 0.69 ALDH1A1 (0.51) MAPTGAAMAPK1ALDH1A1HPGD
SCHEMBL11646638 0.69 CYP4F2 (0.48) MAPTGAAMAPK1ALDH1A1HPGD
SCHEMBL8203697 0.68 HPGD (0.59) MAPTMAPK1ALDH1A1HPGDKDM4E
SCHEMBL3281275 0.67 GAA (0.44) MAPTGAAALDH1A1HPGDHSD17B10
SCHEMBL642906 0.67 KDM4E (0.47) MAPTGAAALDH1A1HPGDHSD17B10
SCHEMBL9219804 0.66 KDM4E (0.37) MAPTGAAALDH1A1HPGDHSD17B10
SCHEMBL5085234 0.65 ALDH1A1 (0.46) MAPTGAAMAPK1ALDH1A1HPGD

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 3 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
US-20140343017-A1 PYRROLE COMPOUND KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-11-20 US disclosed
US-5409900-A Treatment of cancer tumors, psoriasis; purification of blood CYTOPHARM, INC. (US) 1995-04-25 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 (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 MAPT 214/4885GAA 4148/4885MAPK1 787/4885

“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.