SCHEMBL5501732

SCHEMBL5501732

Cc1c(O)ccc2c1ccn2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
DHFR P00374 1/20 0.38
NQO2 P16083 1/20 0.37
KDM6A O15550 1/20 0.35
KDM4A O75164 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM5C P41229 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
DOHH Q9BU89 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
RHEB Q15382 1/20 0.35
PRKCI P41743 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ASH1L Q9NR48 1/20 0.33

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
SCHEMBL14502422 0.78 KDM4E (0.41) HSD11B1KDM4EALDH1A1MAPTRXFP1
SCHEMBL6000224 0.78 RHEB (0.41) HSD11B1KDM4EALDH1A1MAPTRXFP1
SCHEMBL30858616 0.75 RHEB (0.46) HSD11B1KDM4EALDH1A1MAPTRXFP1
SCHEMBL31036090 0.75 DHFR (0.45) HSD11B1KDM4EALDH1A1MAPTRXFP1
SCHEMBL9400494 0.75 DHFR (0.45) HSD11B1KDM4EALDH1A1MAPTRXFP1
SCHEMBL8912434 0.75 KDM4E (0.39) HSD11B1KDM4EALDH1A1MAPTRXFP1
SCHEMBL29450529 0.72 HTR2C (0.54) HSD11B1KDM4EALDH1A1MAPTRXFP1
SCHEMBL33752 0.72 HTR2C (0.54) HSD11B1KDM4EALDH1A1MAPTRXFP1
SCHEMBL17426202 0.72 KDM4E (0.46) HSD11B1KDM4EALDH1A1MAPTRXFP1
SCHEMBL12278359 0.72 KDM4E (0.46) HSD11B1KDM4EALDH1A1MAPTRXFP1

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-1791807-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS Pfizer Products Incorporated (US) 2007-06-06 EP disclosed
WO-2006027684-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS PFIZER PRODUCTS INC. (US) 2006-03-16 WO disclosed
US-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 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-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B HSD11B1 435/4885KDM4E 649/4885ALDH1A1 997/4885

“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.