SCHEMBL16019017

SCHEMBL16019017

COc1ccc(COc2ccccc2Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
TDP1 Q9NUW8 1/20 0.66
ABCB1 P08183 2/20 0.59
HPGD P15428 4/20 0.58
RXRA P19793 1/20 0.58
RXRB P28702 1/20 0.58
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
HDAC6 Q9UBN7 1/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTR1A P08908 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
APP P05067 4/20 0.51
CASR P41180 1/20 0.51

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
SCHEMBL16018989 0.87 ABCB1 (0.68) ABCB1RXRANPC1RAB9AHTR1A
SCHEMBL3769260 0.87 HPGD (0.71) MAPTL3MBTL1TDP1HPGDRXRA
SCHEMBL14882465 0.85 HTR1A (0.53) MAPTL3MBTL1TDP1ABCB1NPC1
SCHEMBL17050818 0.83 MRGPRX4 (0.60) ABCB1HPGDNPC1RAB9AALDH1A1
SCHEMBL31556117 0.82 HPGD (0.61) MAPTL3MBTL1TDP1HPGDRXRA
SCHEMBL3047774 0.81 HPGD (0.69) MAPTL3MBTL1TDP1HPGDRXRA
SCHEMBL12301149 0.81 ABCB1 (0.60) MAPTL3MBTL1TDP1ABCB1RXRA
SCHEMBL9117427 0.81 L3MBTL1 (0.90) MAPTL3MBTL1TDP1HPGDNPC1
SCHEMBL4518756 0.79 APP (0.60) ABCB1NPC1RAB9AHTR1AADRA1D
SCHEMBL30145233 0.79 ABCB1 (0.59) MAPTABCB1HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290515-B2 Cephem derivative having catechol group SHIONOGI & CO., LTD (JP) 2016-03-22 US disclosed
US-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2014-09-11 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-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP COMT, CEP170, SLC6A3 MAPT 1067/4885L3MBTL1 4550/4885TDP1 4139/4885

“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.