SCHEMBL29936396

SCHEMBL29936396

O=Cc1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CYP2A6 P11509 1/20 0.56
TRIM24 O15164 1/20 0.56
TRIM33 Q9UPN9 1/20 0.56
DRD1 P21728 3/20 0.56
CA12 O43570 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA1 P00915 1/20 0.50
ELANE P08246 1/20 0.49
IP6K1 Q92551 1/20 0.47
KIF11 P52732 1/20 0.47
KMO O15229 1/20 0.47
ACMSD Q8TDX5 1/20 0.46
TP53 P04637 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ESR1 P03372 1/20 0.44
MAOA P21397 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL13617691 1.00 ALDH1A1 (0.56) ALDH1A1CYP2A6TRIM24TRIM33DRD1
SCHEMBL29936157 1.00 ALDH1A1 (0.56) ALDH1A1CYP2A6TRIM24TRIM33DRD1
SCHEMBL1669178 0.95 DRD1 (0.59) ALDH1A1CYP2A6TRIM24TRIM33DRD1
SCHEMBL16381738 0.93 ALDH1A1 (0.59) ALDH1A1CYP2A6TRIM24TRIM33DRD1
Benzaldehyde SCHEMBL28675359 0.93 ALDH1A1 (0.67) ALDH1A1CYP2A6TRIM24TRIM33DRD1
SCHEMBL5733969 0.91 ALDH1A1 (0.68) ALDH1A1CYP2A6TRIM24TRIM33DRD1
SCHEMBL10969109 0.91 ALDH1A1 (0.68) ALDH1A1CYP2A6TRIM24TRIM33DRD1
SCHEMBL6032 0.91 ALDH1A1 (0.68) ALDH1A1CYP2A6TRIM24TRIM33DRD1
Benzene SCHEMBL28288569 0.91 ALDH1A1 (0.68) ALDH1A1CYP2A6TRIM24TRIM33DRD1
Methane SCHEMBL28723228 0.88 ALDH1A1 (0.65) ALDH1A1CYP2A6TRIM24TRIM33DRD1

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-11737348-B2 Halide material and optical unit and optoelectronic device having the same NATIONAL TSING HUA UNIVERSITY (TW) 2023-08-22 US disclosed
US-20220302393-A1 HALIDE MATERIAL AND OPTICAL UNIT AND OPTOELECTRONIC DEVICE HAVING THE SAME NATIONAL TSING HUA UNIVERSITY (TW) 2022-09-22 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 (2 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-20220302393-A1 HALIDE MATERIAL AND OPTICAL UNIT AND OPTOELECTRONIC DEVICE HAVING THE SAME MLX, BRIX1, TBL1XR1 ALDH1A1 498/4885CYP2A6 2889/4885TRIM24 2379/4885
US-11737348-B2 Halide material and optical unit and optoelectronic device having the same MLX, BRIX1, TBL1XR1 ALDH1A1 488/4885CYP2A6 2763/4885TRIM24 2345/4885

“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.