SCHEMBL2172844

SCHEMBL2172844

COC(=O)c1c(Br)ccc(OC)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.53
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 5/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 5/20 0.41
MAPT P10636 7/20 0.40
AMY1A P0DUB6 2/20 0.40
ACHE P22303 1/20 0.40
MAPK1 P28482 4/20 0.39
LMNA P02545 3/20 0.39
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 2/20 0.39

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
SCHEMBL11639125 0.86 ALDH1A1 (0.43) ERN1CA12CA1CA2CA7
SCHEMBL2172500 0.84 ERN1 (0.54) ERN1CA12CA1CA2CA7
SCHEMBL2171213 0.84 ERN1 (0.54) ERN1CA12CA1CA2CA7
SCHEMBL3973107 0.82 ERN1 (0.45) ERN1CA12CA1CA2CA7
SCHEMBL1495241 0.81 ALDH1A1 (0.42) ERN1CA12CA1CA2CA7
SCHEMBL6828838 0.81 ALDH1A1 (0.42) ERN1CA12CA1CA2CA7
SCHEMBL16166906 0.81 ALDH1A1 (0.43) ERN1CA12CA1CA2CA7
SCHEMBL4599128 0.80 MEN1 (0.47) ERN1CA12CA1CA2CA7
SCHEMBL23903672 0.78 ALDH1A1 (0.40) ERN1CA12CA1CA2CA7
SCHEMBL21416073 0.77 ALDH1A1 (0.42) ERN1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-09-15 US disclosed
EP-2351748-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-08-03 EP disclosed
EP-2348018-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-07-27 EP disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 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-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE3A, PDE2A, PDE3B ERN1 3290/4885CA12 4710/4885CA1 4274/4885
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE5A, PDE2A, PDE3A ERN1 3466/4885CA12 4581/4885CA1 3974/4885

“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.