SCHEMBL5504480

SCHEMBL5504480

COc1cc(C=O)ccc1OCc1ccc(F)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
HPGD P15428 3/20 0.64
POLB P06746 2/20 0.64
MAPT P10636 6/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
HTT P42858 1/20 0.57
FDPS P14324 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NR3C1 P04150 1/20 0.52
PGR P06401 1/20 0.52
NR3C2 P08235 1/20 0.52
LMNA P02545 3/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL14078205 0.87 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL13220854 0.87 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL13220785 0.83 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL12769016 0.82 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL1353565 0.80 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL5509658 0.80 MEN1 (0.64) MEN1KMT2AHPGDGAA
SCHEMBL5509654 0.80 MEN1 (0.64) MEN1KMT2AHPGDGAA
SCHEMBL13220843 0.79 RAB9A (0.53) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL28668979 0.79 ALDH1A1 (0.78) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL5215416 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AHPGDPOLB

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 ALDH1A1 459/4885MEN1 4702/4885KMT2A 1285/4885

“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.