SCHEMBL6734651

SCHEMBL6734651

Cc1c(C)c2c(c(Cl)c1Cl)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)c(Cl)c(Cl)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
ALOX12 P18054 2/20 0.49
BRCA1 P38398 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
FTO Q9C0B1 10/20 0.48
RECQL P46063 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMAD3 P84022 2/20 0.48
BLM P54132 2/20 0.48
HTT P42858 2/20 0.48
CYP2C19 P33261 1/20 0.48
PRMT1 Q99873 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
LMNA P02545 2/20 0.38

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
SCHEMBL6726793 0.91 ALDH1A1 (0.58) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL161170 0.89 SMAD3 (0.54) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL7454803 0.84 ALDH1A1 (0.50) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL2316195 0.84 ALDH1A1 (0.48) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL2318271 0.83 ALDH1A1 (0.47) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL2557451 0.80 ALDH1A1 (0.64) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL30887311 0.79 ALDH1A1 (0.63) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL30887310 0.79 ALDH1A1 (0.63) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL134733 0.79 ALDH1A1 (0.63) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL29361906 0.79 ALDH1A1 (0.63) ALDH1A1HPGDALOX12BRCA1HSD17B10

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
US-6673550-B2 PROBES FOR USE IN THE DETECTION AND MEASUREMENT OF PREFERENTIAL COMPOUND IN SAMPLE ACLARA BIOSCIENCES, INC. 2004-01-06 US disclosed
US-20020146726-A1 Electrophoretic tag reagents comprising fluorescent compounds ACLARA BIOSCIENCES, INC. 2002-10-10 US disclosed
US-20020142329-A1 Compositions and methods employing cleavable electrophoretic tag reagents ACLARA BIOSCIENCES, INC. 2002-10-03 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 (2 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-20020142329-A1 Compositions and methods employing cleavable electrophoretic tag reagents ENDOD1, TMPRSS15, ECE1 ALDH1A1 3314/4885HPGD 3149/4885ALOX12 4141/4885
US-20020146726-A1 Electrophoretic tag reagents comprising fluorescent compounds ENDOD1, ECE1, ELANE ALDH1A1 2656/4885HPGD 3953/4885ALOX12 4661/4885

“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.