SCHEMBL16398317

SCHEMBL16398317

CCN(Cc1ccccc1)c1ccc2cc(C(=O)O)c(=O)oc2c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 5/20 0.80
ALDH1A1 P00352 4/20 0.80
SMN1; SMN2 Q16637 4/20 0.80
KDM4E B2RXH2 3/20 0.80
SLC16A1 P53985 2/20 0.80
HPGD P15428 2/20 0.80
ALOX15 P16050 1/20 0.80
HSD17B10 Q99714 1/20 0.80
MAOB P27338 3/20 0.68
MEN1 O00255 4/20 0.65
MAPT P10636 4/20 0.65
KMT2A Q03164 4/20 0.65
ATM Q13315 2/20 0.65
USP2 O75604 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C19 P33261 1/20 0.65
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.56
STAT3 P40763 1/20 0.56
STAT1 P42224 1/20 0.56

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
SCHEMBL15138738 0.93 SLC16A3 (0.78) SLC16A3ALDH1A1SMN1; SMN2KDM4ESLC16A1
SCHEMBL16397851 0.91 SLC16A3 (0.72) SLC16A3ALDH1A1SMN1; SMN2KDM4ESLC16A1
SCHEMBL42693 0.89 ALDH1A1 (1.00) SLC16A3ALDH1A1SMN1; SMN2KDM4ESLC16A1
SCHEMBL29775307 0.89 ALDH1A1 (1.00) SLC16A3ALDH1A1SMN1; SMN2KDM4ESLC16A1
SCHEMBL17701081 0.89 SLC16A3 (0.72) SLC16A3ALDH1A1SMN1; SMN2KDM4ESLC16A1
SCHEMBL17704691 0.88 MAOB (0.80) SLC16A3ALDH1A1SMN1; SMN2KDM4ESLC16A1
SCHEMBL16398053 0.88 SLC16A3 (0.71) SLC16A3ALDH1A1SMN1; SMN2KDM4ESLC16A1
SCHEMBL17701069 0.87 SLC16A3 (0.70) SLC16A3ALDH1A1SMN1; SMN2KDM4ESLC16A1
SCHEMBL17704699 0.86 SLC16A3 (0.69) SLC16A3ALDH1A1SMN1; SMN2KDM4ESLC16A1
SCHEMBL16312149 0.86 MAOB (0.71) SLC16A3ALDH1A1SMN1; SMN2KDM4ESLC16A1

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
US-20160115146-A1 3-CARBOXY SUBSTITUTED COUMARIN DERIVATIVES WITH A POTENTIAL UTILITY FOR THE TREATMENT OF CANCER DISEASES CISTIM (BE) 2016-04-28 US disclosed
US-20160115146-A1 3-CARBOXY SUBSTITUTED COUMARIN DERIVATIVES WITH A POTENTIAL UTILITY FOR THE TREATMENT OF CANCER DISEASES CISTIM (BE) 2016-04-28 US disclosed
US-20160115146-A1 3-CARBOXY SUBSTITUTED COUMARIN DERIVATIVES WITH A POTENTIAL UTILITY FOR THE TREATMENT OF CANCER DISEASES CISTIM (BE) 2016-04-28 US disclosed
EP-3004073-A1 3-CARBOXY SUBSTITUTED COUMARIN DERIVATIVES WITH A POTENTIAL UTILITY FOR THE TREATMENT OF CANCER DISEASES Université catholique de Louvain (BE) 2016-04-13 EP disclosed
WO-2014195507-A1 3-CARBOXY SUBSTITUTED COUMARIN DERIVATIVES WITH A POTENTIAL UTILITY FOR THE TREATMENT OF CANCER DISEASES UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2014-12-11 WO 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-20160115146-A1 3-CARBOXY SUBSTITUTED COUMARIN DERIVATIVES WITH A POTENTIAL UTILITY FOR THE TREATMENT OF CANCER DISEASES SLC16A3, SLC16A1, SLC16A8 SLC16A3 1/4885ALDH1A1 160/4885SMN1; SMN2 4024/4885

“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.