SCHEMBL2006747

SCHEMBL2006747

C=CCc1cc(C(C)=O)ccc1-c1cc(F)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
PTPN1 P18031 5/20 0.46
HPGD P15428 1/20 0.46
ALOX5 P09917 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
PTGS1 P23219 1/20 0.41
ELANE P08246 1/20 0.41
CYP3A4 P08684 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL2007412 0.85 GABRA1 (0.40) ALDH1A1GAAPTPN1ALOX5GABRA1
SCHEMBL4981784 0.82 ALDH1A1 (0.61) ALDH1A1GAAMEN1KMT2APTPN1
SCHEMBL2007115 0.78 ALDH1A1 (0.47) ALDH1A1GAAMEN1KMT2AHPGD
SCHEMBL2005113 0.76 GABRA1 (0.41) ALDH1A1ALOX5GABRA1GABRB2ELANE
SCHEMBL4971189 0.76 F7 (0.36) ALDH1A1PTPN1PTGDR2
SCHEMBL21358033 0.74 GABRA1 (0.56) ALDH1A1MEN1KMT2APTPN1HPGD
SCHEMBL2443727 0.72 ALOX5 (0.60) ALDH1A1GAAMEN1KMT2APTPN1
SCHEMBL4982250 0.72 PTPN1 (0.60) ALDH1A1MEN1KMT2APTPN1ALOX5
SCHEMBL10460112 0.72 CA12 (0.55) ALDH1A1MEN1KMT2APTPN1ALOX5
SCHEMBL9525514 0.71 KDM4E (0.50) ALDH1A1GAAMEN1KMT2APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960365-B2 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2011-06-14 US disclosed
EP-1965785-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. Organon (NL) 2008-09-10 EP disclosed
WO-2007071638-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. ORGANON (NL) 2007-06-28 WO disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 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-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R ALDH1A1 1050/4885GAA 3832/4885MEN1 1433/4885

“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.