SCHEMBL29314149

SCHEMBL29314149

CC(=O)c1c(C)cc(Br)cc1CBr

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 1/20 0.35
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
SETDB1 Q15047 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
THRB P10828 1/20 0.33
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
MAOB P27338 1/20 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
SCHEMBL31299886 0.85 KDM4E (0.42) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL3125411 0.82 MEN1 (0.41) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL1104456 0.81 CYP3A4 (0.45) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL29400731 0.81 CYP3A4 (0.45) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL11619402 0.74 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTSETDB1
SCHEMBL24252949 0.73 THRB (0.45) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL13154151 0.72 THRB (0.42) ALDH1A1SMN1; SMN2THRBHPGDMAOB
SCHEMBL9871803 0.72 KDM4E (0.44) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL10141739 0.72 PTGDR2 (0.46) ALDH1A1HTTMAPTSETDB1CYP1A2
SCHEMBL596184 0.69 CYP3A4 (0.50) ALDH1A1HTTMEN1KMT2AMAPT

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-20240226104-A1 PI3K INHIBITORS, NANOFORMULATIONS, AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-11 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-20240226104-A1 PI3K INHIBITORS, NANOFORMULATIONS, AND USES THEREOF PI4KA, PIK3CA, PI4KB ALDH1A1 3641/4885HTT 1878/4885MEN1 3531/4885

“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.