SCHEMBL2417869

SCHEMBL2417869

CC(=O)C(Cc1c(O)c2ccccc2oc1=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.58
VKORC1 Q9BQB6 4/20 0.58
ALDH1A1 P00352 2/20 0.58
PCSK7 Q16549 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALB P02768 1/20 0.58
HSD17B10 Q99714 1/20 0.58
NQO1 P15559 3/20 0.57
ABCB11 O95342 1/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
PDE4D Q08499 1/20 0.57
GPR35 Q9HC97 1/20 0.57

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
SCHEMBL7354624 0.85 CYP2C9 (0.69) CYP2C9VKORC1ALDH1A1PCSK7MEN1
SCHEMBL7349467 0.83 CYP2C9 (0.61) CYP2C9VKORC1ALDH1A1PCSK7MEN1
SCHEMBL14078666 0.79 NQO1 (0.69) CYP2C9VKORC1ALDH1A1PCSK7MEN1
SCHEMBL9206009 0.79 NQO1 (0.66) CYP2C9VKORC1ALDH1A1PCSK7MEN1
SCHEMBL5107449 0.78 NQO1 (0.58) CYP2C9VKORC1ALDH1A1PCSK7MEN1
SCHEMBL8623500 0.77 CYP2C9 (0.62) CYP2C9VKORC1ALDH1A1PCSK7MEN1
SCHEMBL7077171 0.76 NQO1 (0.51) CYP2C9VKORC1ALDH1A1PCSK7MEN1
SCHEMBL10638322 0.76 NQO1 (0.73) CYP2C9VKORC1ALDH1A1PCSK7MEN1
SCHEMBL1647627 0.75 NQO1 (0.64) CYP2C9VKORC1ALDH1A1PCSK7MEN1
SCHEMBL10338525 0.75 CYP2C9 (0.70) CYP2C9VKORC1ALDH1A1PCSK7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110236885-A1 Genetic Variants Predicting Warfarin Sensitivity ACADEMIA SINICA (TW) 2011-09-29 US disclosed
EP-2246445-A1 Genetic variants of VKORC1 predicting warfarin sensitivity Academia Sinica (TW) 2010-11-03 EP disclosed
EP-1831402-B1 GENETIC VARIANTS OF VKORC1 PREDICTING WARFARIN SENSITIVITY ACADEMIA SINICA (TW) 2010-06-09 EP disclosed
US-20070298426-A1 WARFARIN DOSAGE PREDICTION ACADEMIA SINICA (TW) 2007-12-27 US disclosed
EP-1831402-A2 GENETIC VARIANTS OF VKORC1 PREDICTING WARFARIN SENSITIVITY Academia Sinica (TW) 2007-09-12 EP disclosed
US-20060166239-A1 Genetic variants predicting warfarin sensitivity ACADEMIA SINICA (TW) 2006-07-27 US disclosed
WO-2006069339-A2 GENETIC VARIANTS OF VKORCI PREDICTING WARFARIN SENSITIVITY ACADEMIA SINICA (TW) 2006-06-29 WO disclosed
US-20010041737-A1 Enhancing the toxicity of warfarin in rodents RECKITT BENCKISER INC., DELAWARE CORPORATION 2001-11-15 US disclosed
US-6248730-B1 MIXING TETRACYCLINE OR SALT TO WARFARIN-CONTAINING RODENTICIDAL BAIT TO INHIBIT BACTERIA PRESENT IN THE GASTROINTESTINAL TRACT OF A RODENT AND REDUCE DRUG RESISTANCE RECKITTT BENCKISER INC. 2001-06-19 US disclosed
EP-0682663-B1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS UPJOHN CO (US) 2001-04-18 EP disclosed
EP-1061801-A1 ENHANCING THE TOXICITY OF WARFARIN IN RODENTS Reckitt Benckiser Inc. (US) 2000-12-27 EP disclosed
WO-1999045778-A1 ENHANCING THE TOXICITY OF WARFARIN IN RODENTS RECKITT BENCKISER INC. (US) 1999-09-16 WO disclosed
EP-0758327-A1 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-19 EP disclosed
EP-0682663-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-22 EP disclosed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 WO disclosed
WO-1994018188-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS THE UPJOHN COMPANY (US) 1994-08-18 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 (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-20010041737-A1 Enhancing the toxicity of warfarin in rodents VKORC1L1, VKORC1, CYP2E1 CYP2C9 28/4885VKORC1 2/4885ALDH1A1 682/4885
US-20070298426-A1 WARFARIN DOSAGE PREDICTION VKORC1, CYP2C9, VKORC1L1 CYP2C9 2/4885VKORC1 1/4885ALDH1A1 926/4885

“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.