SCHEMBL5506960

SCHEMBL5506960

O=C1C(=Cc2ccc(OCc3ccc(F)cc3Cl)cc2)C(=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
MAOB P27338 2/20 0.47
PTPN1 P18031 5/20 0.47
ADAMTS5 Q9UNA0 3/20 0.46
ADAMTS4 O75173 2/20 0.46
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
GSK3B P49841 2/20 0.44
BACE1 P56817 2/20 0.44
ADAMTS7 Q9UKP4 2/20 0.42
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP1 P03956 1/20 0.41
ADAM17 P78536 1/20 0.41
ADAMTS1 Q9UHI8 1/20 0.41
USP2 O75604 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
SCHEMBL13220843 0.79 RAB9A (0.53) RAB9AMAOBPTPN1ADAMTS5ADAMTS4
SCHEMBL30381597 0.73 PARP1 (0.62) ALDH1A1L3MBTL1USP2MAPTPKM
SCHEMBL7147011 0.73 PARP1 (0.62) ALDH1A1L3MBTL1USP2MAPTPKM
SCHEMBL5921916 0.71 RAB9A (0.56) RAB9AMAOBADAMTS5ADAMTS4MMP2
SCHEMBL12517232 0.70 MAOA (0.64) RAB9AMAOBADAMTS5ADAMTS4MMP2
SCHEMBL6236731 0.70 MAOB (0.57) RAB9AMAOBADAMTS5ADAMTS4MMP2
SCHEMBL26124874 0.69 ADAMTS4 (0.52) RAB9AMAOBADAMTS5ADAMTS4MMP2
SCHEMBL17514658 0.69 RAB9A (0.53) RAB9AMAOBADAMTS5ADAMTS4MMP2
SCHEMBL22625286 0.68 LCK (0.66) ALDH1A1L3MBTL1USP2MAPTPKM
SCHEMBL8184326 0.68 ALDH1A1 (0.48) RAB9AMAOBADAMTS5ADAMTS4MMP2

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-1781271-A1 ARYLIDENES FOR THE TREATMENT OF ESTROGEN RELATED RECEPTOR-ALPHA MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP disclosed
WO-2006019741-A1 ARYLIDENES FOR THE TREATMENT OF ESTROGEN RELATED RECEPTOR-ALPHA MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-23 WO disclosed
US-20060014812-A1 Use of estrogen related receptor-modulating aryl ethers JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-19 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-20060014812-A1 Use of estrogen related receptor-modulating aryl ethers ESR2, ESRRG, GPER1 RAB9A 3563/4885MAOB 880/4885PTPN1 888/4885

“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.