SCHEMBL7057598

SCHEMBL7057598

O=C(Br)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
SLC6A1 P30531 1/20 0.38
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 2/20 0.38
KCNN4 O15554 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
KCNH2 Q12809 1/20 0.36
ELANE P08246 1/20 0.36
DUT P33316 2/20 0.36
TSHR P16473 2/20 0.35
KMT2A Q03164 3/20 0.35
HDAC6 Q9UBN7 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CES1 P23141 1/20 0.35
MEN1 O00255 2/20 0.35
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL40498 0.83 KIF11 (0.50) KIF11SLC6A1CYP2C19HIF1AKCNN4
SCHEMBL17965751 0.82 KIF11 (0.48) KIF11SLC6A1CYP2C19HIF1AKCNN4
SCHEMBL7054160 0.80 KIF11 (0.47) KIF11SLC6A1CYP2C19HIF1AKCNN4
SCHEMBL9548452 0.80 KIF11 (0.47) KIF11SLC6A1CYP2C19HIF1AKCNN4
SCHEMBL11397147 0.80 KIF11 (0.47) KIF11SLC6A1CYP2C19HIF1AKCNN4
SCHEMBL7055637 0.80 KIF11 (0.47) KIF11SLC6A1CYP2C19HIF1AKCNN4
SCHEMBL17237864 0.80 KIF11 (0.47) KIF11SLC6A1CYP2C19HIF1AKCNN4
SCHEMBL28446874 0.80 KIF11 (0.52) KIF11SLC6A1CYP2C19HIF1AKCNN4
SCHEMBL10335929 0.78 KIF11 (0.46) KIF11SLC6A1CYP2C19HIF1AKCNN4
SCHEMBL9292102 0.78 KIF11 (0.46) KIF11SLC6A1CYP2C19HIF1AKCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030181742-A1 Process for the preparation of pregnane derivatives KURARAY CO., LTD. (JP) 2003-09-25 US disclosed
EP-1325928-A1 PROCESS FOR THE PREPARATION OF PREGNANE DERIVATIVES Kuraray Co., Ltd. (JP) 2003-07-09 EP 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-20030181742-A1 Process for the preparation of pregnane derivatives CYP21A2, CYP11B2, CYP17A1 KIF11 2036/4885SLC6A1 845/4885CYP2C19 61/4885

“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.