SCHEMBL6535987

SCHEMBL6535987

COc1cc(C=O)c(Br)cc1OC(C)=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.74
TNFSF11 O14788 1/20 0.53
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ERN1 O75460 3/20 0.47
KDM1A O60341 1/20 0.46
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
PTGS1 P23219 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL8649089 0.87 PRKDC (0.59) PRKDCTNFSF11ALDH1A1MAPTLMNA
SCHEMBL515642 0.86 PRKDC (1.00) PRKDCALDH1A1MAPTLMNAHPGD
SCHEMBL20136045 0.83 ALDH1A1 (0.68) PRKDCTNFSF11ALDH1A1MAPTLMNA
SCHEMBL29951116 0.81 ALDH1A1 (0.55) PRKDCTNFSF11ALDH1A1MAPTLMNA
SCHEMBL19838683 0.80 PRKDC (0.50) PRKDCTNFSF11ALDH1A1MAPTLMNA
SCHEMBL3326702 0.79 TNFSF11 (0.63) PRKDCTNFSF11ALDH1A1HPGDTSHR
SCHEMBL30575778 0.78 PRKDC (0.82) PRKDCALDH1A1MAPTLMNAHPGD
SCHEMBL29953540 0.77 PRKDC (0.68) PRKDCALDH1A1MAPTLMNAHPGD
SCHEMBL6702507 0.77 KDM4E (0.52) PRKDCTNFSF11ALDH1A1MAPTHPGD
SCHEMBL30665931 0.77 PRKDC (0.81) PRKDCALDH1A1MAPTLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022170952-A1 POLYCYCLIC PYRIDAZINONE DERIVATIVE SERVING AS SOS1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州阿尔脉生物科技有限公司 2022-08-18 WO disclosed
EP-3971191-A1 BORON-CONTAINING SMALL MOLECULES Bill And Melinda Gates Foundation (US) 2022-03-23 EP disclosed
CN-113563368-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-10-29 CN disclosed
CN-113321672-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-08-31 CN disclosed
EP-3423065-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2021-07-21 EP disclosed
CN-109195608-B Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-05-11 CN disclosed
US-10919916-B2 Boron-containing small molecules BILL & MELINDA GATES FOUNDATION (US) 2021-02-16 US disclosed
US-20200247827-A1 BORON-CONTAINING SMALL MOLECULES BILL & MELINDA GATES FOUNDATION (US) 2020-08-06 US disclosed
US-10611780-B2 Boron-containing small molecules BILL AND MELINDA GATES FOUNDATION (US) 2020-04-07 US disclosed
US-20190077814-A1 BORON-CONTAINING SMALL MOLECULES GATES FOUNDATION 2019-03-14 US disclosed
WO-2004080971-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-23 WO disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
US-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-12-04 US disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO disclosed
EP-0585371-B1 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE POULENC RORER INTERNAT H (US) 2002-04-17 EP disclosed
US-5571506-A AROMATIC ALDEHYDE OLIGOMERS FOR TREATMENT OF CARDIOVASCULAR DISORDERS, BONE METABOLISM, ANTILIPEMIC AGENTS AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-11-05 US disclosed
EP-0585371-A4 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE POULENC RORER INT (US) 1994-07-13 EP disclosed
EP-0585371-A1 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-03-09 EP disclosed
WO-1992020350-A1 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 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 (5 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-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents TFPI, TFPI2, SERPINC1 PRKDC 2948/4885TNFSF11 3895/4885ALDH1A1 2602/4885
US-20190077814-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BTD PRKDC 4260/4885TNFSF11 694/4885ALDH1A1 4559/4885
US-10919916-B2 Boron-containing small molecules BCL6B, BLVRB, BTD PRKDC 4260/4885TNFSF11 694/4885ALDH1A1 4559/4885
US-10611780-B2 Boron-containing small molecules BCL6B, BLVRB, BTD PRKDC 4260/4885TNFSF11 694/4885ALDH1A1 4559/4885
US-20200247827-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BTD PRKDC 4260/4885TNFSF11 694/4885ALDH1A1 4559/4885

“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.