SCHEMBL3543073

SCHEMBL3543073

Cc1c(O)c(C=O)c(O)c2c1OC(c1ccccc1)CC2=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.58
ABCG2 Q9UNQ0 3/20 0.55
POLB P06746 2/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
ABCB1 P08183 2/20 0.54
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
PABPC1 P11940 1/20 0.53
APEX1 P27695 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 1/20 0.53
EIF4H Q15056 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL662641 0.88 CYP19A1 (0.61) CYP19A1ABCG2POLBCRHBPCRHR2
SCHEMBL29085286 0.88 CYP19A1 (0.61) CYP19A1ABCG2POLBCRHBPCRHR2
Demethoxymatteucinol SCHEMBL29204370 0.86 ABCG2 (0.64) CYP19A1ABCG2POLBCRHBPCRHR2
Demethoxymatteucinol SCHEMBL664144 0.86 ABCG2 (0.64) CYP19A1ABCG2POLBCRHBPCRHR2
SCHEMBL30536901 0.83 CYP19A1 (0.64) CYP19A1ABCG2POLBCRHBPCRHR2
SCHEMBL661408 0.83 CYP19A1 (0.59) CYP19A1ABCG2POLBCRHBPCRHR2
SCHEMBL663034 0.78 ESR1 (0.80) CYP19A1ABCG2POLBCRHBPCRHR2
SCHEMBL664361 0.78 CYP19A1 (0.67) CYP19A1ABCG2POLBCRHBPCRHR2
SCHEMBL29085238 0.78 CYP19A1 (0.67) CYP19A1ABCG2POLBCRHBPCRHR2
Farrerol SCHEMBL928045 0.76 ESR1 (0.71) POLBMEN1MAPTAPEX1RECQL

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
CN-100503592-C Anti-AIDS virus active substance desmosdumotin D and desmosdumotin and its analogue WU JIUHONG WANG XIHONG YI YANG (CN) 2009-06-24 CN claimed
CN-1611497-A Anti-AIDS virus active substance desmosdumotin D and desmosdumotin and its analogue WU JIUHONG (CN) 2005-05-04 CN claimed
US-7834216-B2 Desmosdumotins, the method for preparing the same and use as anti-tumor or anti-AIDS agents Wu, Jiuhong (CN) 2010-11-16 US disclosed
CN-101137609-B Desmosdumotin, its preparation method and application in resisting tumor and AIDS JIUHONG WU 2010-11-03 CN disclosed
US-20090233998-A1 Desmosdumotins, the Method for Preparing the Same and Use as Anti-Tumor or Anti-AIDS Agents WU, JIUHONG (CN) 2009-09-17 US disclosed
CN-100503592-C Anti-AIDS virus active substance desmosdumotin D and desmosdumotin and its analogue WU JIUHONG WANG XIHONG YI YANG (CN) 2009-06-24 CN disclosed
CN-100503592-C Anti-AIDS virus active substance desmosdumotin D and desmosdumotin and its analogue WU JIUHONG WANG XIHONG YI YANG (CN) 2009-06-24 CN disclosed
CN-1796351-A Method for preparing desmosdumotin, and application of anti tumour and AIDS WU JIUHONG (CN) 2006-07-05 CN disclosed
CN-1611497-A Anti-AIDS virus active substance desmosdumotin D and desmosdumotin and its analogue WU JIUHONG (CN) 2005-05-04 CN disclosed
CN-1611497-A Anti-AIDS virus active substance desmosdumotin D and desmosdumotin and its analogue WU JIUHONG (CN) 2005-05-04 CN 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-20090233998-A1 Desmosdumotins, the Method for Preparing the Same and Use as Anti-Tumor or Anti-AIDS Agents DSG1, DSC1, SOST CYP19A1 1927/4885ABCG2 3625/4885POLB 1381/4885

“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.