SCHEMBL3440707

SCHEMBL3440707

Oc1cccc(Cc2ccccc2S)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.47
DHFR P00374 1/20 0.46
ALOX5 P09917 2/20 0.46
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
OPRK1 P41145 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL21380590 0.81 BCL2 (0.36) ALOX5CYP1A2BCL2BCL2L1
SCHEMBL921907 0.81 KEAP1 (0.62) ENPP2DHFRALOX5DRD2DRD1
SCHEMBL4651451 0.80 AKR1B1 (0.49) ENPP2DHFRALOX5CYP3A4
SCHEMBL3440671 0.79 KEAP1 (0.64) ALOX5BCL2BCL2L1KMT2AKDM4E
SCHEMBL29279068 0.78 TAAR1 (0.44) TAAR1
SCHEMBL7730754 0.78 DHFR (0.54) ENPP2DHFRALOX5DRD2DRD1
SCHEMBL29057939 0.78 TAAR1 (0.44) TAAR1KMT2AKDM4ELMNAMAPT
SCHEMBL38660847 0.78 PNMT (0.47) TAAR1CYP3A4ALOX15KMT2A
SCHEMBL352619 0.78 CALM1 (0.52) ALOX5DRD2DRD1BCL2BCL2L1
SCHEMBL70267 0.77 ENPP2 (0.65) ENPP2DHFRDRD2DRD1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116239103-B Carbon dot, preparation method thereof and photocatalytic hydroboration method 中国石油大学(华东) 2024-08-02 CN claimed
CN-115521324-B Preparation of near infrared fluorescent probe for detecting beta-lactamase in drug-resistant bacteria 山西医科大学 2023-08-29 CN claimed
CN-116239103-A Carbon dot, preparation method thereof and photocatalytic hydroboration method 中国石油大学(华东) 2023-06-09 CN claimed
CN-118576786-A Multifunctional hydrophilic lubricating coating and preparation method thereof 四川大学华西医院 2024-09-03 CN disclosed
CN-116239103-B Carbon dot, preparation method thereof and photocatalytic hydroboration method 中国石油大学(华东) 2024-08-02 CN disclosed
CN-117304590-B High-weather-resistance power cable and production process thereof 荣茂科技集团有限公司 2024-03-08 CN disclosed
CN-117304590-A High-weather-resistance power cable and production process thereof 荣茂科技集团有限公司 2023-12-29 CN disclosed
CN-116897195-A Primer composition for inorganic substance layer lamination, cured product thereof, and method for producing same 东亚合成株式会社 2023-10-17 CN disclosed
CN-115521324-B Preparation of near infrared fluorescent probe for detecting beta-lactamase in drug-resistant bacteria 山西医科大学 2023-08-29 CN disclosed
CN-116239103-A Carbon dot, preparation method thereof and photocatalytic hydroboration method 中国石油大学(华东) 2023-06-09 CN disclosed
CN-115124837-B Polyimide composite film 苏州太湖电工新材料股份有限公司 2023-05-09 CN disclosed
US-8450374-B2 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2013-05-28 US disclosed
US-20100331418-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal UNIVERSITY OF DELAWARE 2010-12-30 US disclosed
US-7807713-B2 Pan-antagonists for the androgen receptor and androgen associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2010-10-05 US disclosed
US-20090270512-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-29 US disclosed
US-7550505-B2 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2009-06-23 US disclosed
US-7550505-B2 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2009-06-23 US disclosed
US-20080064757-A1 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-03-13 US disclosed
WO-2008013791-A2 PAN-ANTAGONISTS FOR THE ANDROGEN RECEPTOR AND ANDROGEN RECEPTOR MUTANTS ASSOCIATED WITH ANTI-ANDROGEN WITHDRAWAL UNIVERSITY OF DELAWARE (US) 2008-01-31 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 (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-20090270512-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal AR, NR5A1, SHBG ENPP2 498/4885DHFR 3793/4885ALOX5 3058/4885
US-20080064757-A1 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal AR, NR5A1, SHBG ENPP2 498/4885DHFR 3793/4885ALOX5 3058/4885
US-20100331418-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal AR, NR5A1, SHBG ENPP2 498/4885DHFR 3793/4885ALOX5 3058/4885

“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.