SCHEMBL9878347

SCHEMBL9878347

COc1cc(O)c2c(c1)C(=O)c1cc(CBr)cc(O)c1C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.64
ALDH1A1 P00352 3/20 0.64
MAPT P10636 2/20 0.64
ALOX15 P16050 2/20 0.64
KDM4E B2RXH2 2/20 0.64
GLA P06280 1/20 0.64
HPGD P15428 1/20 0.64
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
IDO1 P14902 1/20 0.45
MEN1 O00255 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
EPHX2 P34913 2/20 0.44
KMT2A Q03164 2/20 0.44
ACLY P53396 2/20 0.44
PIM1 P11309 2/20 0.43

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
SCHEMBL16226825 0.93 ALDH1A1 (0.60) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL16225969 0.87 ELANE (0.66) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL16226983 0.86 ELANE (0.83) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL28795761 0.84 ALDH1A1 (0.60) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL27840148 0.84 ALDH1A1 (0.56) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL9879097 0.83 ELANE (0.58) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL9878323 0.83 MEN1 (0.57) ELANEALDH1A1MAPTALOX15HPGD
SCHEMBL9878499 0.82 ALDH1A1 (0.75) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL16226869 0.81 ALDH1A1 (0.80) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL9878432 0.81 ALDH1A1 (0.56) ELANEALDH1A1MAPTALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990008759-A1 DERIVATIVES OF CHRYSOPHANOL SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-08-09 WO claimed
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
US-5053431-A Antitumor-anticarcinogenic agents SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1991-10-01 US disclosed
US-4966918-A ANTICARCINOGENIC AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-10-30 US disclosed
WO-1990008759-A1 DERIVATIVES OF CHRYSOPHANOL SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-08-09 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 ELANE 2550/4885ALDH1A1 1004/4885MAPT 3619/4885

“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.