SCHEMBL834241

SCHEMBL834241

Cc1cccc2c1OC(=O)CC2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.37
ALDH3A1 P30838 1/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
AKR1B1 P15121 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
TYMS P04818 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CES1 P23141 1/20 0.33
ALOX12 P18054 1/20 0.33
SRD5A1 P18405 1/20 0.33
PARP1 P09874 2/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33

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
SCHEMBL13495858 0.82 AKR1B1 (0.44) HPGDAKR1B1BRD4CREBBPKDM4E
SCHEMBL31040600 0.81 MAOB (0.40) TSHRAKR1B1L3MBTL1CES1SRD5A1
SCHEMBL11122122 0.81 HPGD (0.42) HPGDTSHRAKR1B1ALDH1A1
SCHEMBL6836824 0.78 AKR1B1 (0.38) TSHRAKR1B1CES1
SCHEMBL6836726 0.77 KDM4E (0.53) ALDH2ALDH3A1HPGDTSHRAKR1B1
SCHEMBL32673059 0.77 TSHR (0.37) HPGDTSHRAKR1B1KDM4ECES1
SCHEMBL28587199 0.77 HPGD (0.41) HPGDTSHRAKR1B1KDM4EALDH1A1
SCHEMBL16283615 0.77 PTGS1 (0.41) TSHRAKR1B1L3MBTL1ALDH1A1PARP1
SCHEMBL6838590 0.73 ALDH2 (0.41) ALDH2ALDH3A1HPGDTSHRKDM4E
SCHEMBL6835962 0.73 KDM4E (0.50) ALDH2ALDH3A1HPGDTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639893-A Process for producing octahydrocoumarins and same as a product of such process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-17 US claimed
EP-0757989-A1 A process for producing octahydrocoumarins and same as a product of such process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-02-12 EP claimed
US-5300662-A Process for producing coumarin and derivatives thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-04-05 US claimed
CN-112105610-B Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation 朱比连特普罗德尔有限责任公司 2024-01-26 CN disclosed
US-11529341-B2 Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation Jubilant Prodel LLC 2022-12-20 US disclosed
US-11529341-B2 Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation Jubilant Prodel LLC 2022-12-20 US disclosed
US-20210015810-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION Jubilant Prodel LLC 2021-01-21 US disclosed
US-20210015810-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION Jubilant Prodel LLC 2021-01-21 US disclosed
EP-3765453-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION Jubilant Prodel LLC (US) 2021-01-20 EP disclosed
CN-112105610-A Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation 朱比连特普罗德尔有限责任公司 2020-12-18 CN disclosed
WO-2019175897-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION JUBILANT BIOSYS LIMITED (IN) 2019-09-19 WO disclosed
EP-2061766-A2 NOVEL COMPOUNDS Torrent Pharmaceuticals Ltd (IN) 2009-05-27 EP disclosed
WO-2008149379-A2 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS LTD. (IN) 2008-12-11 WO disclosed
US-6756432-B2 POLYBUTADIENE TYPE POLYMER WITH A 1-BENZOPYRAN, A 1-BENZO PYRAN-2-ONE OR A BENZOIN DERIVATIVE; MOLDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-06-29 US disclosed
US-20030153655-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-14 US disclosed
EP-0539181-B1 Process for producing coumarin and derivatives thereof SUMITOMO CHEMICAL CO (JP) 1997-06-18 EP disclosed
US-5639893-A Process for producing octahydrocoumarins and same as a product of such process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-17 US disclosed
EP-0757989-A1 A process for producing octahydrocoumarins and same as a product of such process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-02-12 EP disclosed
US-5300662-A Process for producing coumarin and derivatives thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-04-05 US disclosed
EP-0539181-A1 Process for producing coumarin and derivatives thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-04-28 EP 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 (2 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-20210015810-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION CD274, PDCD1, PDCD1LG2 ALDH2 1216/4885ALDH3A1 153/4885HPGD 1098/4885
US-11529341-B2 Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation CD274, PDCD1, PDCD1LG2 ALDH2 1216/4885ALDH3A1 153/4885HPGD 1098/4885

“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.