SCHEMBL3301674

SCHEMBL3301674

COc1cccc(-n2cc(C)ccc2=O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 2/20 0.62
HPGD P15428 2/20 0.62
CYP1A2 P05177 2/20 0.62
BLM P54132 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MGLL Q99685 1/20 0.50
BRD4 O60885 1/20 0.48
ACHE P22303 1/20 0.47
TP53 P04637 2/20 0.46
MAPK14 Q16539 1/20 0.45
RAB9A P51151 1/20 0.45
PKM P14618 1/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.43

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
SCHEMBL10025186 0.86 KDM4E (0.75) ALDH1A1KDM4EHPGDCYP1A2BLM
SCHEMBL3305184 0.85 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDCYP1A2BLM
SCHEMBL10059755 0.83 HSD17B10 (0.57) ALDH1A1KDM4EHPGDCYP1A2BLM
SCHEMBL10059731 0.83 KDM4E (0.57) ALDH1A1KDM4EHPGDCYP1A2BLM
SCHEMBL3302828 0.83 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDCYP1A2BLM
SCHEMBL16474662 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDCYP1A2MGLL
SCHEMBL758900 0.81 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDCYP1A2BLM
SCHEMBL16474692 0.81 BRD4 (0.56) ALDH1A1KDM4EHPGDMGLLBRD4
SCHEMBL16474722 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDCYP1A2MGLL
SCHEMBL16474678 0.80 BRD4 (0.58) ALDH1A1KDM4EHPGDCYP1A2BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010045871-A1 COMPOSITION AND METHOD FOR TREATING PROTEINURIA DIERETECH INVESTMENT LIMITED (CN) 2010-04-29 WO claimed
US-20100099719-A1 COMPOSITION AND METHOD FOR TREATING PROTEINURIA DIEREPHARMA, INC. (US) 2010-04-22 US claimed
US-20090258911-A1 COMPOSITION AND METHOD FOR TREATING FIBROTIC DISEASES TAO LI JIAN 2009-10-15 US claimed
US-20090005424-A9 Composition and Method for Treating Fibrotic Diseases TAO LI J 2009-01-01 US claimed
EP-1878428-A1 1-(SUBSTITUTED PHENYL)-5- METHYL- 2 - (1H) PYRIDONE IN THE MANUFACTURE OF MEDICAMENTS FOR TREATING FIBROSIS IN ORGANS OR TISSUES Xiangya Hospital of Central South University (CN) 2008-01-16 EP claimed
US-20070203203-A1 Composition and Method for Treating Fibrotic Diseases TAO LI J 2007-08-30 US claimed
US-20180064692-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2018-03-08 US disclosed
US-9675593-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2017-06-13 US disclosed
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 US disclosed
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2016-09-15 US disclosed
US-9359379-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2016-06-07 US disclosed
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 US disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 US disclosed
WO-2009149188-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-10 WO disclosed
US-20090258911-A1 COMPOSITION AND METHOD FOR TREATING FIBROTIC DISEASES TAO LI JIAN 2009-10-15 US disclosed
US-20090005424-A9 Composition and Method for Treating Fibrotic Diseases TAO LI J 2009-01-01 US disclosed
US-20080319027-A1 Composition and Method for Treating Fibrotic Diseases TAO LI JIAN 2008-12-25 US disclosed
US-20070203203-A1 Composition and Method for Treating Fibrotic Diseases TAO LI J 2007-08-30 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 (9 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-20180064692-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 ALDH1A1 529/4885KDM4E 2117/4885HPGD 298/4885
US-20100099719-A1 COMPOSITION AND METHOD FOR TREATING PROTEINURIA REN, PTPRF, PPM1F ALDH1A1 341/4885KDM4E 280/4885HPGD 666/4885
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ALDH1A1 529/4885KDM4E 2117/4885HPGD 298/4885
US-20090005424-A9 Composition and Method for Treating Fibrotic Diseases COL1A1, COL2A1, MMP1 ALDH1A1 485/4885KDM4E 317/4885HPGD 366/4885
US-20080319027-A1 Composition and Method for Treating Fibrotic Diseases COL1A1, COL2A1, MMP1 ALDH1A1 485/4885KDM4E 317/4885HPGD 366/4885
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 ALDH1A1 2054/4885KDM4E 3381/4885HPGD 529/4885
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ALDH1A1 529/4885KDM4E 2117/4885HPGD 298/4885
US-20090258911-A1 COMPOSITION AND METHOD FOR TREATING FIBROTIC DISEASES COL1A1, COL2A1, MMP1 ALDH1A1 485/4885KDM4E 317/4885HPGD 366/4885
US-20070203203-A1 Composition and Method for Treating Fibrotic Diseases COL1A1, COL2A1, MMP1 ALDH1A1 485/4885KDM4E 317/4885HPGD 366/4885

“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.