SCHEMBL743497

SCHEMBL743497

COc1c[c]c(OC)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CYP1A2 P05177 8/20 0.38
ALDH1A1 P00352 7/20 0.38
CYP1A1 P04798 6/20 0.38
CYP1B1 Q16678 6/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2E1 P05181 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP4B1 P13584 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP3A5 P20815 1/20 0.34
CYP2A7 P20853 1/20 0.34

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
SCHEMBL7722657 0.82 CALM1 (0.38) CA12CA1CA2CA7CA9
SCHEMBL7996394 0.81 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL2598020 0.78 CYP1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL161694 0.77 ACHE (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL2154934 0.77 ALDH1A1 (0.38) CA12CA1CA2CA7CA9
SCHEMBL1810937 0.77 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL8121638 0.77 NQO2 (0.40) CYP1A2ALDH1A1CYP3A4CYP2C19MAPT
SCHEMBL2235124 0.76 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL2164088 0.76 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL3393076 0.76 CA12 (0.41) CA12CA1CA2CA7CA9

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 362 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591306-B 1,4 naphthoquinone STAT3 inhibitor of 1,2,4-triazole ring and application thereof 陕西中医药大学 2024-03-01 CN claimed
US-11369584-B2 Andrographolide derivatives and method of using the same for treatment or prevention of fibrosis ZHENGZHOU UNIVERSITY (CN) 2022-06-28 US claimed
CN-114591306-A 1,4 naphthoquinone STAT3 inhibitor of 1,2,4-triazole ring and application thereof 陕西中医药大学 2022-06-07 CN claimed
CN-109730990-B Application of 15-benzylidene-14-deoxy-11, 12-dehydroandrographolide derivative in anti-fibrosis drugs 郑州大学 2021-07-02 CN claimed
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2021-05-13 US claimed
EP-3038621-B1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RES INSTITUTE (US) 2020-12-02 EP claimed
EP-3608313-A1 15-IDENE-14-DEOXY-11,12-DEHYDROANDROGRAPHOLIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARING ANTI-FIBROSIS DRUGS Zhengzhou University (CN) 2020-02-12 EP claimed
US-20200030280-A1 ANDROGRAPHOLIDE DERIVATIVES AND METHOD OF USING THE SAME FOR TREATMENT OR PREVENTION OF FIBROSIS ZHENGZHOU UNIVERSITY (CN) 2020-01-30 US claimed
CN-109730990-A Application of the 15- benzyl subunit -14- deoxidation -11,12- andrographolide in anti-fibrosis medicine 郑州大学 2019-05-10 CN claimed
CN-106946821-B Andrographolidume derivative and its 3,19 carboxylates are preparing the application in anti-hepatic fibrosis medicines 郑州大学 2019-04-19 CN claimed
WO-2005105757-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-11-10 WO claimed
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-11-03 US claimed
CN-1630554-A Trimerisation of olefins using a catalyst containing chromium, molybdenum or tungsten and a ligand containing phosphorus, arsenic or antimony BP CHEM INT LTD (GB) 2005-06-22 CN claimed
CN-1612856-A 1,3-diarylprop-2-en-1-ones, compositions containing same and use thereof AVENTIS PHARMA SA (FR) 2005-05-04 CN claimed
EP-1453790-A2 1,3-DIARYLPROP-2-EN-1-ONES, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2004-09-08 EP claimed
US-20040147584-A2 1,3-DIARYLPROP-2-EN-1-ONES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-07-29 US claimed
EP-0463488-B2 O-Benzyl oxime ethers and fungicides containing them BASF AG (DE) 2004-04-21 EP claimed
US-20030153611-A1 1,3-Diarylprop-2-en-1-ones, compositions containing them and use thereof AVENTIS PHARMA S.A. 2003-08-14 US claimed
WO-2003048106-A2 1,3-DIARYLPROP-2-EN-1-ONES, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2003-06-12 WO claimed
CN-1107158-A Polysubstituted 2-amino-thiazole derivatives SANOFI ELF (FR) 1995-08-23 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20050245555-A1 Tri-substituted ureas as cytokine inhibitors IL1B, IL1A, IL6 CA12 3132/4885CA1 854/4885CA2 1280/4885
US-20200030280-A1 ANDROGRAPHOLIDE DERIVATIVES AND METHOD OF USING THE SAME FOR TREATMENT OR PREVENTION OF FIBROSIS MMP1, CYP27A1, PYGL CA12 3234/4885CA1 4626/4885CA2 4226/4885
US-20040147584-A2 1,3-DIARYLPROP-2-EN-1-ONES, COMPOSITIONS CONTAINING THEM AND USE THEREOF MCL1, ENPP1, MYC CA12 4444/4885CA1 4661/4885CA2 4842/4885
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 CA12 1944/4885CA1 1346/4885CA2 2747/4885
US-11369584-B2 Andrographolide derivatives and method of using the same for treatment or prevention of fibrosis MMP1, CYP27A1, PYGL CA12 3234/4885CA1 4626/4885CA2 4226/4885
US-20030153611-A1 1,3-Diarylprop-2-en-1-ones, compositions containing them and use thereof MCL1, ENPP1, MYC CA12 4444/4885CA1 4661/4885CA2 4842/4885

“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.