SCHEMBL3333300

SCHEMBL3333300

O=C1C(=O)c2c(ccc3ccccc23)-c2occc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.62
PTPRC P08575 1/20 0.56
CES1 P23141 4/20 0.44
NQO1 P15559 1/20 0.44
POR P16435 1/20 0.44
ALDH1A1 P00352 6/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HIF1A Q16665 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CES2 O00748 1/20 0.39
KDM1A O60341 1/20 0.39
EED O75530 1/20 0.39
POLB P06746 1/20 0.39
PTPN6 P29350 1/20 0.39
BLM P54132 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL27927489 0.98 DNMT1 (0.60) DNMT1PTPRCCES1NQO1POR
SCHEMBL17767261 0.87 DNMT1 (0.53) DNMT1PTPRCCES1NQO1POR
SCHEMBL30570716 0.87 DNMT1 (0.53) DNMT1PTPRCCES1NQO1POR
SCHEMBL19230419 0.80 DNMT1 (0.83) DNMT1CES1ALDH1A1MAPTRAB9A
SCHEMBL16144677 0.78 DNMT1 (0.80) DNMT1CES1ALDH1A1MAPTRAB9A
SCHEMBL1055754 0.77 DNMT1 (1.00) DNMT1PTPRCCES1ALDH1A1MAPT
SCHEMBL31174009 0.77 DNMT1 (1.00) DNMT1PTPRCCES1ALDH1A1MAPT
SCHEMBL16152313 0.75 EED (0.69) DNMT1CES1NQO1PORALDH1A1
SCHEMBL7122517 0.74 DNMT1 (0.73) DNMT1CES1ALDH1A1MAPTRAB9A
SCHEMBL19230420 0.74 DNMT1 (0.73) DNMT1PTPRCCES1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160022625-A1 TASHINONES AND THEIR DERIVATIVES: NOVEL EXCELLENT DRUGS FOR ALZHEIMER DISEASE THE UNIVERSITY OF AKRON 2016-01-28 US disclosed
US-20160022625-A1 TASHINONES AND THEIR DERIVATIVES: NOVEL EXCELLENT DRUGS FOR ALZHEIMER DISEASE THE UNIVERSITY OF AKRON 2016-01-28 US disclosed
WO-2014138357-A1 NOVEL TASHINONE DRUGS FOR ALZHEIMER DISEASE THE UNIVERSITY OF AKRON (US) 2014-09-12 WO disclosed
CN-102499913-B Preparation method for refined and purified paeonol preparation GUANGXI YIKANG PHARMACEUTICAL CO LTD 2013-07-10 CN disclosed
CN-103083332-A Application of tanshinone IIA to preparing drugs or cosmetics for inhibiting propionibacterium acnes SHANGHAI LAIBO BIO CHEMICAL CO LTD 2013-05-08 CN disclosed
CN-103083333-A Application of tanshinone IIA in preparation of medicine for treating malassezia induced skin disease SHANGHAI LAIBO BIO CHEMICAL CO LTD 2013-05-08 CN disclosed
US-8404869-B2 Phenanthrenequinone-based compound and pharmaceutical composition containing the same for the treatment or prevention of disease involving metabolic syndrome MAZENCE INC. (KR) 2013-03-26 US disclosed
CN-102020521-A Preparation mode and application of deuterium substituted Chinese herbal monomer CHEN SONGYUAN 2011-04-20 CN disclosed
CN-101766551-A Drug toothpaste for treating oral diseases and preparation method thereof TIANJIN TIENS GROUP CO LTD 2010-07-07 CN disclosed
US-20100137422-A1 NOVEL PHENANTHRENEQUINONE-BASED COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR THE TREATMENT OR PREVENTION OF DISEASE INVOLVING METABOLIC SYNDROME YUNGJIN PHARM. CO., LTD. (KR) 2010-06-03 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-20160022625-A1 TASHINONES AND THEIR DERIVATIVES: NOVEL EXCELLENT DRUGS FOR ALZHEIMER DISEASE APP, HTT, PSEN1 DNMT1 4821/4885PTPRC 4519/4885CES1 3339/4885
US-20100137422-A1 NOVEL PHENANTHRENEQUINONE-BASED COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR THE TREATMENT OR PREVENTION OF DISEASE INVOLVING METABOLIC SYNDROME CYP27A1, CYP46A1, PCSK9 DNMT1 4516/4885PTPRC 4052/4885CES1 131/4885

“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.