SCHEMBL9936554

SCHEMBL9936554

COC(=O)c1c[nH]c2c(OC)cccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.70
ALDH1A1 P00352 3/20 0.65
HPGD P15428 3/20 0.65
KDM4E B2RXH2 2/20 0.65
CREBBP Q92793 1/20 0.58
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
MAP2K1 Q02750 1/20 0.54
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
CNR2 P34972 1/20 0.52
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 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
SCHEMBL5446777 0.87 ALDH1A1 (0.68) NR4A2ALDH1A1HPGDKDM4EMTNR1A
SCHEMBL3566514 0.87 ALDH1A1 (0.83) NR4A2ALDH1A1HPGDKDM4EMTNR1A
SCHEMBL6029339 0.85 ALDH1A1 (0.62) NR4A2ALDH1A1HPGDKDM4EMTNR1A
SCHEMBL14410811 0.84 ALDH1A1 (0.65) NR4A2ALDH1A1HPGDKDM4EMTNR1A
SCHEMBL2034797 0.84 NR4A2 (0.62) NR4A2ALDH1A1HPGDKDM4ECREBBP
SCHEMBL2036909 0.83 NR4A2 (1.00) NR4A2ALDH1A1HPGDKDM4ECREBBP
SCHEMBL27436908 0.82 ALDH1A1 (0.65) NR4A2ALDH1A1HPGDKDM4EMTNR1A
SCHEMBL2040417 0.81 NR4A2 (1.00) NR4A2ALDH1A1HPGDKDM4ECREBBP
SCHEMBL2034149 0.81 NR4A2 (0.70) NR4A2ALDH1A1HPGDKDM4ECREBBP
SCHEMBL17113293 0.81 NR4A2 (0.70) NR4A2ALDH1A1HPGDKDM4ECREBBP

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-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20130309247-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-11-21 US disclosed
EP-2651919-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
WO-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 WO disclosed
WO-2010008727-A1 ASYMMETRIC SYNTHESIS OF ALLYL OR ALLENE OXINDOLES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-01-21 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-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 NR4A2 3995/4885ALDH1A1 4204/4885HPGD 3794/4885

“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.