SCHEMBL6837762

SCHEMBL6837762

COc1ccc(Br)c2c1OC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.39
NQO2 P16083 1/20 0.39
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ERN1 O75460 1/20 0.33
HTR1A P08908 4/20 0.32
ADRA1B P35368 4/20 0.32
ADRA1D P25100 3/20 0.32
ADRA1A P35348 3/20 0.32

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
SCHEMBL6837835 0.78 SIRT1 (0.41) SIRT1CYP1A2CYP2C19ERN1HTR1A
SCHEMBL6837806 0.77 KMT2A (0.39) SIRT1NQO2HPGDCYP1A2MAPT
SCHEMBL13890449 0.70 GPR55 (0.36) SIRT1SMN1; SMN2NQO1CNR1
SCHEMBL9142516 0.67 CNR1 (0.36) CNR1
SCHEMBL4467375 0.66 KDM4E (0.39) HPGDCYP1A2CYP2C19HTTMAPT
SCHEMBL13890450 0.66 TTR (0.43) SIRT1HPGDCYP1A2CYP2D6CYP2C19
SCHEMBL7814338 0.66 CA12 (0.44) HPGDHTTCA12CA1CA2
SCHEMBL3451196 0.64 KDM4E (0.42) NQO2HPGDCYP1A2MAPTERN1
SCHEMBL6605094 0.63 KDM4E (0.56) NQO2HPGDHTTMAPTERN1
SCHEMBL6837756 0.63 ALDH1A1 (0.43) NQO2MAPTERN1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 SIRT1 456/4885NQO2 240/4885HPGD 713/4885

“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.