SCHEMBL9103188

SCHEMBL9103188

CCCCCCCCCCCOc1ccc(O)c(C=O)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.57
NR5A1 Q13285 1/20 0.54
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
PLA2G4B P0C869 1/20 0.48
LTA4H P09960 1/20 0.47
CDK1 P06493 1/20 0.47
CNR2 P34972 2/20 0.46

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
SCHEMBL7595046 1.00 ERN1 (0.57) ERN1NR5A1TP53TSHRPLA2G4B
SCHEMBL7560250 1.00 ERN1 (0.57) ERN1NR5A1TP53TSHRPLA2G4B
SCHEMBL8415236 0.95 ERN1 (0.62) ERN1NR5A1LTA4HCDK1
SCHEMBL31166228 0.89 ERN1 (0.62) ERN1LTA4HCDK1
SCHEMBL7763936 0.88 NR5A1 (0.58) NR5A1TP53TSHRPLA2G4BLTA4H
SCHEMBL4067042 0.88 NR5A1 (0.58) NR5A1TP53TSHRPLA2G4BLTA4H
SCHEMBL10580362 0.88 NR5A1 (0.58) NR5A1TP53TSHRPLA2G4BLTA4H
SCHEMBL7763425 0.88 NR5A1 (0.58) NR5A1TP53TSHRPLA2G4BLTA4H
SCHEMBL1813069 0.88 NR5A1 (0.58) NR5A1TP53TSHRPLA2G4BLTA4H
SCHEMBL7323609 0.86 TRIM24 (0.58) NR5A1TP53TSHRLTA4HCNR2

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-20120298932-A1 METAL COMPLEX, COMPOSITION COMPRISING SAME AND LIGHT-EMITTING ELEMENT USING SAME TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-11-29 US disclosed
EP-2460788-A1 METAL COMPLEX, COMPOSITION COMPRISING SAME AND LIGHT-EMITTING ELEMENT USING SAME Sumitomo Chemical Company, Limited (JP) 2012-06-06 EP 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-20120298932-A1 METAL COMPLEX, COMPOSITION COMPRISING SAME AND LIGHT-EMITTING ELEMENT USING SAME C1S, AP3M1, AP1M1 ERN1 2899/4885NR5A1 1846/4885TP53 2345/4885

“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.