SCHEMBL6482244

SCHEMBL6482244

Cc1oc2ccccc2c1Cc1cc(C(C)C)c(O)c(C(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
NQO1 P15559 5/20 0.44
CA2 P00918 1/20 0.43
VKORC1 Q9BQB6 4/20 0.39
CYP2C19 P33261 3/20 0.39
EYA3 Q99504 1/20 0.39
MEN1 O00255 1/20 0.39
ABCB11 O95342 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4D Q08499 1/20 0.39
PCSK7 Q16549 1/20 0.39

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
SCHEMBL6573415 0.81 NQO1 (0.41) THRATHRBNQO1CA2VKORC1
SCHEMBL6482781 0.80 THRB (0.74) THRATHRBALDH1A1LMNAKMT2A
SCHEMBL11342021 0.73 DHFR (0.49) CA2LMNACYP1A2CYP3A4TSHR
SCHEMBL6490125 0.73 EYA3 (0.69) THRATHRBCYP2C19EYA3MEN1
Propofol SCHEMBL27586509 0.73 HIF1A (0.53) NQO1CA2VKORC1CYP2C19EYA3
SCHEMBL1121505 0.72 GSR (0.53) THRATHRBCA2LMNACYP1A2
SCHEMBL9442168 0.71 GSR (0.52) CA2LMNACYP1A2CYP3A4TSHR
SCHEMBL9817081 0.70 LMNA (0.45) THRATHRBCA2LMNACYP1A2
SCHEMBL2467528 0.70 GSR (0.63) CA2LMNACYP1A2CYP3A4TSHR
SCHEMBL17974165 0.69 CA2 (0.53) THRATHRBNQO1CA2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065208-A1 Benzofuranes and their use in the treatment of atrial fibrillation KARO BIO AB (SE) 2005-03-24 US claimed
US-20050065208-A1 Benzofuranes and their use in the treatment of atrial fibrillation KARO BIO AB (SE) 2005-03-24 US disclosed
EP-1408958-A1 BENZOFURANES AND THEIR USE IN THE TREATMENT OF ATRIAL FIBRILLATION KARO BIO AB (SE) 2004-04-21 EP disclosed
WO-2003009839-A1 BENZOFURANES AND THEIR USE IN THE TREATMENT OF ATRIAL FIBRILLATION KARO BIO AB (SE) 2003-02-06 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-20050065208-A1 Benzofuranes and their use in the treatment of atrial fibrillation KCNH1, KCNJ2, KCNQ2 THRA 1678/4885THRB 1466/4885NQO1 358/4885

“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.