SCHEMBL13409130

SCHEMBL13409130

COc1ccc(Br)c(C)c1C(=O)c1c(C)cc(C)c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KCNB1 Q14721 2/20 0.39
PTPN1 P18031 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
ERN1 O75460 1/20 0.37
TUBB1 Q9H4B7 5/20 0.36
TUBB4A P04350 3/20 0.36
TUBB P07437 3/20 0.36
TUBA3C P0DPH7 3/20 0.36
TUBA1B P68363 3/20 0.36
TUBA4A P68366 3/20 0.36
TUBB4B P68371 3/20 0.36
TUBB3 Q13509 3/20 0.36
TUBB2A Q13885 3/20 0.36
TUBB8 Q3ZCM7 3/20 0.36
TUBA3E Q6PEY2 3/20 0.36
TUBA1A Q71U36 3/20 0.36

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
Metrafenone SCHEMBL30013482 0.92 ALDH1A1 (0.42) ALDH1A1KCNB1PTPN1HPGDCYP1A2
Metrafenone SCHEMBL20788 0.92 ALDH1A1 (0.42) ALDH1A1KCNB1PTPN1HPGDCYP1A2
Metrafenone SCHEMBL29408434 0.92 ALDH1A1 (0.42) ALDH1A1KCNB1PTPN1HPGDCYP1A2
Metrafenone SCHEMBL1613717 0.84 HPGD (0.52) ALDH1A1HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL6743725 0.83 PTPN1 (0.43) ALDH1A1PTPN1HPGDTUBB1TUBB4A
SCHEMBL6860817 0.83 POLB (0.44) ALDH1A1PTPN1HPGDCYP1A2CYP2C19
Metrafenone SCHEMBL2311489 0.83 ALDH1A1 (0.35) ALDH1A1KCNB1PTPN1HPGDCYP1A2
SCHEMBL3762760 0.81 MEN1 (0.39) ALDH1A1KCNB1PTPN1HPGDERN1
SCHEMBL7518963 0.81 SMPD1 (0.41) ALDH1A1KMT2AMEN1
SCHEMBL6859535 0.80 ELANE (0.37) ALDH1A1PTPN1HPGDCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105670-A1 FUNGICIDAL MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-29 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-20100105670-A1 FUNGICIDAL MIXTURES DEGS1, GMDS, Q6ZSR9 ALDH1A1 988/4885KCNB1 1149/4885PTPN1 642/4885

“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.