SCHEMBL6589409

SCHEMBL6589409

CCc1c(O)c2ccccc2oc1=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 6/20 0.75
ALDH1A1 P00352 2/20 0.75
LMNA P02545 2/20 0.75
TP53 P04637 2/20 0.75
TSHR P16473 2/20 0.75
MAPK1 P28482 2/20 0.75
CYP2C9 P11712 2/20 0.75
MEN1 O00255 1/20 0.75
ABCB11 O95342 1/20 0.75
CYP1A2 P05177 1/20 0.75
CYP3A4 P08684 1/20 0.75
CYP2C19 P33261 1/20 0.75
KMT2A Q03164 1/20 0.75
PDE4D Q08499 1/20 0.75
PCSK7 Q16549 1/20 0.75
GPR35 Q9HC97 1/20 0.75
VKORC1 Q9BQB6 4/20 0.68
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 1/20 0.57
RAB9A P51151 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
Dicumarol SCHEMBL33891 0.86 NQO1 (1.00) NQO1ALDH1A1LMNATP53TSHR
Dicumarol SCHEMBL7454901 0.86 NQO1 (1.00) NQO1ALDH1A1LMNATP53TSHR
Dicumarol SCHEMBL29703314 0.86 NQO1 (1.00) NQO1ALDH1A1LMNATP53TSHR
Dicumarol SCHEMBL17927706 0.84 NQO1 (0.96) NQO1ALDH1A1LMNATP53TSHR
SCHEMBL1707603 0.84 NQO1 (0.56) NQO1ALDH1A1LMNATP53TSHR
SCHEMBL2052391 0.83 NQO1 (0.65) NQO1ALDH1A1LMNATP53TSHR
SCHEMBL14169915 0.83 NQO1 (0.75) NQO1ALDH1A1LMNATP53TSHR
SCHEMBL9526995 0.83 NQO1 (0.75) NQO1ALDH1A1LMNATP53TSHR
SCHEMBL14078666 0.82 NQO1 (0.69) NQO1ALDH1A1LMNATP53TSHR
SCHEMBL15851235 0.82 ALDH1A1 (0.63) NQO1ALDH1A1LMNATP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2011-03-24 US disclosed
US-6689799-B1 NON-NUCLEOSIDE-DERIVATIVE VIRICIDES REPHARTOX (NL) 2004-02-10 US disclosed
EP-1214315-B9 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF REPHARTOX (NL) 2004-01-02 EP disclosed
EP-1214315-B1 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF REPHARTOX (NL) 2003-05-02 EP disclosed
EP-1214315-A1 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF Rephartox (NL) 2002-06-19 EP disclosed
WO-2001014370-A1 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF REPHARTOX (NL) 2001-03-01 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 (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-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES CREBBP, TEAD1, SREBF1 NQO1 1534/4885ALDH1A1 3041/4885LMNA 2173/4885

“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.