SCHEMBL1687448

SCHEMBL1687448

CCc1ccc(-c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.55
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
PDE4A P27815 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ATM Q13315 2/20 0.48
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
FYN P06241 1/20 0.47
TUBB1 Q9H4B7 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 2/20 0.46
POLB P06746 1/20 0.46
CYP19A1 P11511 1/20 0.46

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
SCHEMBL26036242 0.85 HSD17B10 (0.44) ALDH1A1MAPTLMNATDP1HPGD
SCHEMBL26036254 0.85 HSD17B10 (0.44) ALDH1A1MAPTLMNATDP1HPGD
SCHEMBL18666696 0.85 HTT (0.52) CA2ALDH1A1KDM4EMAPTLMNA
SCHEMBL26036253 0.85 HSD17B10 (0.44) ALDH1A1LMNATDP1HPGDFYN
SCHEMBL18666412 0.83 CYP17A1 (0.49) ALDH1A1TDP1TUBB1CYP3A4TSHR
SCHEMBL16158575 0.83 ALOX5 (0.58) ALDH1A1LMNATDP1CYP3A4POLB
SCHEMBL14449509 0.83 CYP17A1 (0.65) ALDH1A1KMT2ASMN1; SMN2PTGS2CYP17A1
SCHEMBL12603809 0.83 KMT2A (0.47) CA2ALDH1A1MAPTKMT2ATUBB1
SCHEMBL9287916 0.83 BCL2 (0.50) CA2ALDH1A1KDM4EMAPTLMNA
SCHEMBL31275634 0.83 CA2 (0.71) CA2ALDH1A1KDM4ELMNAKMT2A

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-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-12 US disclosed
US-8088759-B2 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-01-03 US disclosed
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-05 US disclosed
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-17 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 (3 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-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function ATP5F1A, ATP5MF, MT-ATP6 CA2 1652/4885ALDH1A1 1703/4885KDM4E 3289/4885
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties BAD, GABRA5, GABRB1 CA2 3197/4885ALDH1A1 1177/4885KDM4E 1321/4885
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 CA2 3197/4885ALDH1A1 1177/4885KDM4E 1321/4885

“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.