SCHEMBL4209790

SCHEMBL4209790

O=Cc1ccccc1C1(Br)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.38
TRIM24 O15164 2/20 0.38
TRIM33 Q9UPN9 2/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKR1C1 Q04828 1/20 0.33
IMPDH2 P12268 2/20 0.32
GAA P10253 1/20 0.32
CYP2A6 P11509 1/20 0.32
ATM Q13315 1/20 0.32
PDE7A Q13946 1/20 0.32
ERN1 O75460 1/20 0.31

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
SCHEMBL6250419 0.98 LMNA (0.43) KMT2ALMNAMEN1THRBBLM
SCHEMBL12760796 0.77 MEN1 (0.44) KMT2ALMNAMEN1THRBBLM
SCHEMBL10730179 0.76 MEN1 (0.43) KMT2ALMNAMEN1THRBBLM
SCHEMBL611941 0.76 MEN1 (0.43) KMT2ALMNAMEN1THRBBLM
SCHEMBL27280 0.76 MEN1 (0.43) KMT2ALMNAMEN1THRBBLM
SCHEMBL12760788 0.73 THRB (0.44) KMT2ALMNAMEN1THRBBLM
SCHEMBL12760839 0.72 LMNA (0.48) KMT2ALMNAMEN1THRBBLM
SCHEMBL16767078 0.72 LMNA (0.48) KMT2ALMNAMEN1THRBBLM
SCHEMBL14237072 0.72 SLC6A3 (0.41) KMT2ALMNAMEN1THRBBLM
SCHEMBL14236874 0.69 MEN1 (0.36) KMT2ALMNAMEN1THRBBLM

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-8785425-B2 11β-hydroxyandrosta-4-ene-3-ones SUN PHARMA ADVANCED RESEARCH COMPANY LTD. 2014-07-22 US disclosed
US-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES SUN PHARMA ADVANCE RESEARCH COMPANY (IN) 2009-02-26 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-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES HSD11B1, HSD3B1, HSD3B2 KMT2A 4439/4885LMNA 1076/4885MEN1 776/4885

“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.