SCHEMBL13560871

SCHEMBL13560871

COc1cc2c(C)oc(=O)c(CC(=O)Nc3ccccc3)c2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.54
▸ HPGD P15428 6/20 0.54
▸ KDM4E B2RXH2 5/20 0.54
▸ TSHR P16473 3/20 0.54
▸ GAA P10253 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ EPHX2 P34913 1/20 0.47
▸ MAPT P10636 6/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ HTT P42858 3/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45

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
SCHEMBL13561010 0.79 PDE3B (0.57) ALDH1A1HPGDKDM4ETSHRGAA
SCHEMBL3653095 0.71 EPHX2 (0.77) ALDH1A1HPGDKDM4ETSHREPHX2
SCHEMBL11735536 0.70 MEN1 (0.56) ALDH1A1HPGDGAAEPHX2MAPT
SCHEMBL8049389 0.69 MEN1 (0.76) ALDH1A1KDM4ETSHRGAAMAPT
SCHEMBL31393812 0.69 MEN1 (0.76) ALDH1A1KDM4ETSHRGAAMAPT
SCHEMBL11275576 0.68 KMT2A (0.67) ALDH1A1HPGDKDM4ETSHRL3MBTL1
SCHEMBL8785207 0.68 MAPT (0.48) ALDH1A1HPGDKDM4ETSHRL3MBTL1
SCHEMBL6183697 0.66 HIF1A (0.69) ALDH1A1TSHRL3MBTL1MAPTSMN1; SMN2
SCHEMBL16697971 0.66 KMT2A (0.59) ALDH1A1HPGDKDM4ETSHRL3MBTL1
SCHEMBL7872336 0.65 KMT2A (0.80) ALDH1A1HPGDKDM4EL3MBTL1EPHX2

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-20120276121-A1 USE OF INHIBITORS OF SCAVENGER RECEPTOR CLASS PROTEINS FOR THE TREATMENT OF INFECTIOUS DISEASES INSTITUTO DE MEDICINA MOLECULAR, FACULDADE DE MEDICINA DA UNIVERSIDADE DE LISBOA (PT) 2012-11-01 — — US disclosed
US-20120276121-A1 USE OF INHIBITORS OF SCAVENGER RECEPTOR CLASS PROTEINS FOR THE TREATMENT OF INFECTIOUS DISEASES INSTITUTO DE MEDICINA MOLECULAR, FACULDADE DE MEDICINA DA UNIVERSIDADE DE LISBOA (PT) 2012-11-01 — — 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-20120276121-A1 USE OF INHIBITORS OF SCAVENGER RECEPTOR CLASS PROTEINS FOR THE TREATMENT OF INFECTIOUS DISEASES SCARB1, MSR1, HAVCR2 ALDH1A1 511/4885HPGD 2900/4885KDM4E 4698/4885

“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.

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