SCHEMBL4860229

SCHEMBL4860229

O=C1c2cccc3c(Br)ccc(c23)C(=O)N1C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 15/20 0.66
ALDH1A1 P00352 3/20 0.53
POLB P06746 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7646895 0.92 CYP1B1 (0.56) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL20735017 0.87 ALDH1A1 (0.52) CYP1B1ALDH1A1KDM4EMEN1NPC1
SCHEMBL20735085 0.84 ALDH1A1 (0.50) CYP1B1ALDH1A1KDM4EMEN1NPC1
SCHEMBL7646060 0.83 KEAP1 (0.57) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL20735248 0.83 ALDH1A1 (0.49) CYP1B1ALDH1A1KDM4EMEN1NPC1
SCHEMBL5520058 0.83 ALDH1A1 (0.57) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL20735163 0.83 ALDH1A1 (0.49) CYP1B1ALDH1A1KDM4EMEN1NPC1
SCHEMBL20735196 0.83 ALDH1A1 (0.49) CYP1B1ALDH1A1KDM4EMEN1NPC1
SCHEMBL20735199 0.83 ALDH1A1 (0.49) CYP1B1ALDH1A1KDM4EMEN1NPC1
SCHEMBL29141594 0.83 CYP1B1 (0.47) CYP1B1ALDH1A1POLBRXFP1KDM4E

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-7358362-B2 Method for the production of terylene-3,4:11,12-tetracarboxydiimides by direct synthesis BASF AKTIENGESELLSCHAFT (DE) 2008-04-15 US disclosed
US-20070155968-A1 Method for the production of terylene-3,4:11,12-tetracarboxydiimides by direct synthesis BASF AKTIENGESELLSCHAFT (DE) 2007-07-05 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-20070155968-A1 Method for the production of terylene-3,4:11,12-tetracarboxydiimides by direct synthesis HACL2, HRH3, HCN2 CYP1B1 748/4885ALDH1A1 3629/4885POLB 1692/4885

“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.