SCHEMBL6762399

SCHEMBL6762399

O=C(O)Cc1c[c]ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.55
KDM4E B2RXH2 4/20 0.38
POLB P06746 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
NFKB1 P19838 2/20 0.38
PMP22 Q01453 2/20 0.38
HSD17B10 Q99714 2/20 0.38
RGS12 O14924 1/20 0.38
APEX1 P27695 1/20 0.38
THPO P40225 1/20 0.38
BLM P54132 1/20 0.38
GNAI1 P63096 1/20 0.38
HIF1A Q16665 1/20 0.38
EGFR P00533 2/20 0.38
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL9580151 0.86 AKR1B1 (0.52) AKR1B1KDM4EPOLBTDP1MAPT
SCHEMBL7771341 0.83 AKR1B1 (0.43) AKR1B1KDM4ETDP1MAPTGAA
SCHEMBL11051979 0.80 AKR1B1 (0.41) AKR1B1TDP1MAPTHPGDTSHR
SCHEMBL7596115 0.79 AKR1B1 (0.42) AKR1B1KDM4EPOLBTDP1MAPT
SCHEMBL27827564 0.78 EGFR (0.44) KDM4EMAPTGAAHPGDLMNA
SCHEMBL930329 0.77
SCHEMBL22344551 0.74 AKR1B1 (0.42) AKR1B1TDP1CA2CAMK2ACYP2C9
SCHEMBL22344588 0.74 CXCL8 (0.41) AKR1B1KDM4ETDP1MAPTHPGD
SCHEMBL22344518 0.74 AKR1B1 (0.39) AKR1B1KDM4ETDP1MAPTLMNA
SCHEMBL6713227 0.74 AKR1B1 (0.39) AKR1B1KDM4ETDP1MAPTHPGD

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004505014-A 2004-02-19 JP claimed
EP-1268463-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-01-02 EP claimed
US-20020198199-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-12-26 US claimed
JP-2002544264-A 2002-12-24 JP claimed
JP-2002544262-A 2002-12-24 JP claimed
JP-2002544260-A 2002-12-24 JP claimed
JP-2002544263-A 2002-12-24 JP claimed
EP-1202975-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2002-05-08 EP claimed
EP-1178970-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRYMIDINONES USEFUL AS ANTICOAGULANTS Pharmacia Corporation (US) 2002-02-13 EP claimed
EP-1178964-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2002-02-13 EP claimed
EP-1178971-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS AS ANTICOAGULATIVE AGENTS Pharmacia Corporation (US) 2002-02-13 EP claimed
WO-2001087851-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087842-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087852-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001077097-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO claimed
WO-2000069832-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRYMIDINONES USEFUL AS ANTICOAGULANTS PHARMACIA CORPORATION (US) 2000-11-23 WO claimed
WO-2000069833-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS AS ANTICOAGULATIVE AGENTS PHARMACIA CORPORATION (US) 2000-11-23 WO claimed
WO-2000069826-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2000-11-23 WO claimed
WO-2000069834-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2000-11-23 WO 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 (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-20020198199-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT AKR1B1 1309/4885KDM4E 2122/4885POLB 1821/4885

“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.