SCHEMBL29613367

SCHEMBL29613367

Brc1ccc2c3ccccc3c3cc4cccc(Br)c4cc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CYP2A6 P11509 1/20 0.42
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CYP1A2 P05177 5/20 0.37
HPGD P15428 3/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPRT1 P00492 3/20 0.37
PTGES O14684 2/20 0.36
SLC9A1 P19634 1/20 0.36
ERBB2 P04626 1/20 0.36
FYN P06241 1/20 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
SCHEMBL22634162 1.00 MEN1 (0.50) MEN1KMT2ARXFP1CYP2A6ALDH1A1
SCHEMBL18548885 0.90 ALDH1A1 (0.46) MEN1KMT2ARXFP1CYP2A6ALDH1A1
SCHEMBL19397097 0.84 CYP2A6 (0.58) MEN1KMT2ARXFP1CYP2A6ALDH1A1
SCHEMBL22634169 0.82 CYP2A6 (0.61) MEN1KMT2ARXFP1CYP2A6ALDH1A1
SCHEMBL1234095 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL29656897 0.80 CYP2A6 (0.52) MEN1KMT2ARXFP1CYP2A6ALDH1A1
SCHEMBL1461517 0.80 CYP2A6 (0.52) MEN1KMT2ARXFP1CYP2A6ALDH1A1
SCHEMBL30366175 0.80 CYP2A6 (0.52) MEN1KMT2ARXFP1CYP2A6ALDH1A1
SCHEMBL30366448 0.80 CYP2A6 (0.52) MEN1KMT2ARXFP1CYP2A6ALDH1A1
SCHEMBL6562541 0.80 CYP2A6 (0.52) MEN1KMT2ARXFP1CYP2A6ALDH1A1

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-11319266-B2 Syntheses, characterizations, and applications of heli-acenes University of Wyoming-Office of Research & Economic Development (US) 2022-05-03 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-11319266-B2 Syntheses, characterizations, and applications of heli-acenes HRH1, EHD1, CRY1 MEN1 3272/4885KMT2A 3604/4885RXFP1 4000/4885

“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.