SCHEMBL4597505

SCHEMBL4597505

Cc1nc(Oc2ccc(O)c(C(C)(C)C)c2)ccc1C=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESRRA P11474 6/20 0.53
▸ ALDH1A1 P00352 3/20 0.45
▸ NR1H4 Q96RI1 3/20 0.40
▸ ATM Q13315 2/20 0.40
▸ TYR P14679 2/20 0.39
▸ ERN1 O75460 1/20 0.39
▸ TRIM24 O15164 1/20 0.39
▸ TRIM33 Q9UPN9 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NR1I2 O75469 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MIF P14174 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37

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
SCHEMBL4140304 0.78 KDM4E (0.46) ALDH1A1TYRERN1TRIM24TRIM33
SCHEMBL5572716 0.76 ESRRA (0.51) ESRRAALDH1A1NR1H4ATMTYR
SCHEMBL4596178 0.76 HAO1 (0.49) ALDH1A1TYRTRIM24TRIM33POLB
SCHEMBL5575305 0.75 KDM4E (0.42) ALDH1A1ATMTYRERN1TRIM24
SCHEMBL9008266 0.74 ESRRA (0.59) ESRRAALDH1A1NR1H4ATMTYR
SCHEMBL7204289 0.73 ESRRA (0.72) ESRRAALDH1A1NR1H4ATMTYR
SCHEMBL4598347 0.73 ALDH1A1 (0.50) ALDH1A1TYRERN1TRIM24TRIM33
SCHEMBL5572824 0.73 KDM4E (0.43) ALDH1A1ATMTYRTRIM24TRIM33
SCHEMBL4598575 0.73 HRH3 (0.46) ESRRAALDH1A1CYP2C9
SCHEMBL4597441 0.72 ALDH1A1 (0.39) ALDH1A1GAAMAPTLMNACYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 — — EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 — — US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 — — 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 ESRRA 689/4885ALDH1A1 3484/4885NR1H4 64/4885

“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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