SCHEMBL16398249

SCHEMBL16398249

CC(C)CN(Cc1ccccc1)c1cccc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 2/20 0.51
OPRM1 P35372 6/20 0.49
OPRD1 P41143 6/20 0.49
OPRK1 P41145 6/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
HTR7 P34969 2/20 0.48
CETP P11597 5/20 0.46
TSHR P16473 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
NR3C1 P04150 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL6908896 0.85 ALDH1A1 (0.63) ALDH1A1CYP3A4OPRM1OPRD1OPRK1
SCHEMBL1672672 0.85 CRHBP (0.58) ALDH1A1CYP3A4OPRM1OPRD1OPRK1
SCHEMBL11440294 0.83 ALDH1A1 (0.71) ALDH1A1CYP3A4OPRM1OPRD1OPRK1
SCHEMBL31068669 0.83 ALDH1A1 (0.71) ALDH1A1CYP3A4OPRM1OPRD1OPRK1
SCHEMBL9304794 0.81 ALDH1A1 (0.73) ALDH1A1CYP3A4OPRM1OPRD1OPRK1
SCHEMBL28495975 0.77 ALDH1A1 (0.53) ALDH1A1CYP3A4OPRM1OPRD1OPRK1
SCHEMBL9322653 0.76 ALDH1A1 (0.56) ALDH1A1CYP3A4OPRM1OPRD1OPRK1
SCHEMBL10907115 0.76 ALDH1A1 (0.55) ALDH1A1CYP3A4OPRM1OPRD1OPRK1
SCHEMBL8084726 0.76 ALDH1A1 (0.59) ALDH1A1CYP3A4OPRM1OPRD1OPRK1
SCHEMBL13404667 0.75 CETP (0.64) CETP

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 ALDH1A1 160/4885CYP3A4 141/4885OPRM1 3199/4885

“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.