SCHEMBL5114210

SCHEMBL5114210

CCOC1Oc2c(c(=O)oc3ccccc23)C1c1c(O)c2ccccc2oc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
NQO1 P15559 4/20 0.47
ADORA3 P0DMS8 1/20 0.46
KDM4E B2RXH2 2/20 0.44
PRNP P04156 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
VKORC1 Q9BQB6 1/20 0.43
CYP2C9 P11712 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ABCB11 O95342 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDE4D Q08499 1/20 0.43
PCSK7 Q16549 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
SCHEMBL5115619 0.85 NQO1 (0.38) ALDH1A1NQO1ADORA3KDM4ERXFP1
SCHEMBL5125455 0.84 TP53 (0.38) ALDH1A1NQO1KDM4ERXFP1KMT2A
SCHEMBL5119698 0.84 PRNP (0.40) ALDH1A1NQO1KDM4EPRNPRXFP1
SCHEMBL5115962 0.84 NQO1 (0.52) ALDH1A1NQO1ADORA3KDM4ERXFP1
SCHEMBL5111977 0.83 NQO1 (0.48) ALDH1A1NQO1KDM4ERXFP1KMT2A
SCHEMBL5125494 0.82 NQO1 (0.47) ALDH1A1NQO1PRNPRXFP1KMT2A
SCHEMBL5115168 0.82 NQO1 (0.47) ALDH1A1NQO1KDM4ERXFP1TP53
SCHEMBL5118330 0.82 CA12 (0.46) ALDH1A1NQO1PRNPRXFP1VKORC1
SCHEMBL5126458 0.81 ALDH1A1 (0.40) ALDH1A1NQO1ADORA3KDM4EKMT2A
SCHEMBL5114980 0.81 NQO1 (0.52) ALDH1A1NQO1ADORA3KDM4EVKORC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384975-B2 Substituted furochromenes, preparation thereof and their antiinflammatory action GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2008-06-10 US disclosed
US-20060148889-A1 Substituted furochromenes, preparation thereof and their antiinflammatory action PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-07-06 US disclosed
EP-1648902-A1 SUBSTITUTED FUROCHROMENES, PREPARATION THEREOF AND THEIR ANTIINFLAMMATORY ACTION PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2006-04-26 EP disclosed
US-20050075388-A1 Products of condensations of hydroxycoumarin derivatives with aromatic and aliphatic dialdehydes, their preparation and antiviral action thereof PLIVA-ISTRAZIVACKI INSTITUTE D.O.O. (HR) 2005-04-07 US disclosed
WO-2005010007-A1 SUBSTITUTED FUROCHROMENES, PREPARATION THEREOF AND THEIR ANTIINFLAMMATORY ACTION PLIVA- ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-02-03 WO disclosed
EP-1448543-A1 PRODUCTS OF CONDENSATIONS OF HYDROXYCOUMARIN DERIVATIVES WITH AROMATIC AND ALIPHATIC DIALDEHYDES, THEIR PREPARATION AND ANTIVIRAL ACTION THEREOF PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2004-08-25 EP disclosed
WO-2003029237-A1 PRODUCTS OF CONDENSATIONS OF HYDROXYCOUMARIN DERIVATIVES WITH AROMATIC AND ALIPHATIC DIALDEHYDES, THEIR PREPARATION AND ANTIVIRAL ACTION THEREOF PLIVA, FARMACEUTSKA INDUSTRIJA, DIONICKO DRUSTVO (HR) 2003-04-10 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-20050075388-A1 Products of condensations of hydroxycoumarin derivatives with aromatic and aliphatic dialdehydes, their preparation and antiviral action thereof MAVS, EIF2AK2, DDX17 ALDH1A1 633/4885NQO1 199/4885ADORA3 2950/4885
US-20060148889-A1 Substituted furochromenes, preparation thereof and their antiinflammatory action CYP11B2, CYP11B1, LTC4S ALDH1A1 486/4885NQO1 60/4885ADORA3 1155/4885

“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.