SCHEMBL9017210

SCHEMBL9017210

COc1c(Cl)c(Cl)c2c(c1OC)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.55
BRCA1 P38398 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALOX12 P18054 2/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
FTO Q9C0B1 8/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
RECQL P46063 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
MAPT P10636 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
THRB P10828 2/20 0.40

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
SCHEMBL15648378 0.91 ALDH1A1 (0.55) ALDH1A1HPGDBRCA1HSD17B10ALOX12
SCHEMBL134733 0.84 ALDH1A1 (0.63) ALDH1A1HPGDBRCA1HSD17B10ALOX12
SCHEMBL29361906 0.84 ALDH1A1 (0.63) ALDH1A1HPGDBRCA1HSD17B10ALOX12
SCHEMBL30887310 0.84 ALDH1A1 (0.63) ALDH1A1HPGDBRCA1HSD17B10ALOX12
SCHEMBL30887311 0.84 ALDH1A1 (0.63) ALDH1A1HPGDBRCA1HSD17B10ALOX12
SCHEMBL5453230 0.83 ALDH1A1 (0.62) ALDH1A1HPGDBRCA1HSD17B10ALOX12
SCHEMBL6726793 0.82 ALDH1A1 (0.58) ALDH1A1HPGDBRCA1HSD17B10ALOX12
SCHEMBL9068067 0.80 ALDH1A1 (0.58) ALDH1A1HPGDBRCA1HSD17B10ALOX12
SCHEMBL6637206 0.80 ALDH1A1 (0.55) ALDH1A1HPGDBRCA1HSD17B10ALOX12
SCHEMBL6884426 0.79 ALDH1A1 (0.45) ALDH1A1HPGDBRCA1HSD17B10ALOX12

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
US-20160116448-A1 pH-MODULATED QUENCHERS OF FLUORESCENCE BERRY AND ASSOCIATES, INC. 2016-04-28 US disclosed
US-5489507-A SIMULTANEOUS AMPLIFICATION OF TARGET DNA AND DYE-LABELED ALLELIC DNA; FORMING MATCHED DUPLEXES; ILLUMINATION; MEDICAL DIAGNOSIS PERKIN-ELMER CORPORATION (US) 1996-02-06 US disclosed
EP-0233053-B1 Method of detecting electrophoretically separated oligonucleotides APPLIED BIOSYSTEMS (US) 1994-06-01 EP disclosed
US-4855225-A LABELING WITH FLUORESCENT OR RHODANINE DYES APPLIED BIOSYSTEMS, INC. (US) 1989-08-08 US disclosed
EP-0233053-A2 Method of detecting electrophoretically separated oligonucleotides APPLIED BIOSYSTEMS, INC. (US) 1987-08-19 EP 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-20160116448-A1 pH-MODULATED QUENCHERS OF FLUORESCENCE NHERF1, ANXA5, ARFGEF1 ALDH1A1 323/4885HPGD 838/4885BRCA1 1071/4885

“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.