SCHEMBL8097259

SCHEMBL8097259

Brc1ccc2c3c(cccc13)-c1c-2c(-c2ccccc2)c2c3ccccc3c3ccccc3c2c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP1B1 Q16678 14/20 0.47
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.38
HKDC1 Q2TB90 1/20 0.37

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
SCHEMBL21368134 0.91 CYP1A2 (0.53) CYP1A2CYP1B1ALDH1A1POLBRXFP1
SCHEMBL959783 0.90 CYP1A2 (0.51) CYP1A2CYP1B1ALDH1A1POLBRXFP1
SCHEMBL30170061 0.90 CYP1A2 (0.51) CYP1A2CYP1B1ALDH1A1POLBRXFP1
SCHEMBL8085159 0.86 KEAP1 (0.38) CYP1A2CYP1B1ALDH1A1POLBKDM4E
SCHEMBL13002347 0.84 CYP1A2 (0.53) CYP1A2CYP1B1ALDH1A1POLBRXFP1
SCHEMBL24067766 0.84 CYP1A2 (0.46) CYP1A2CYP1B1ALDH1A1POLBRXFP1
SCHEMBL13085390 0.84 CYP1A2 (0.46) CYP1A2CYP1B1ALDH1A1POLBRXFP1
SCHEMBL12449293 0.83 CYP1A2 (0.45) CYP1A2CYP1B1ALDH1A1POLBRXFP1
SCHEMBL14805334 0.83 CYP1A2 (0.49) CYP1A2CYP1B1ALDH1A1POLBRXFP1
SCHEMBL15457926 0.82 CYP1A2 (0.58) CYP1A2CYP1B1ALDH1A1POLBRXFP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120234380-A1 TERRYLENE COMPOUNDS, PREPARATION THEREOF AND USE THEREOF IN ORGANIC SOLAR CELLS BASF SE (DE) 2012-09-20 US disclosed
US-20120234380-A1 TERRYLENE COMPOUNDS, PREPARATION THEREOF AND USE THEREOF IN ORGANIC SOLAR CELLS BASF SE (DE) 2012-09-20 US disclosed
WO-2011158211-A1 USE OF SUBSTITUTED PERYLENES IN ORGANIC SOLAR CELLS BASF SE (DE) 2011-12-22 WO disclosed
US-20110308592-A1 USE OF SUBSTITUTED PERYLENES IN ORGANIC SOLAR CELLS BASF SE (DE) 2011-12-22 US disclosed
US-20110308592-A1 USE OF SUBSTITUTED PERYLENES IN ORGANIC SOLAR CELLS BASF SE (DE) 2011-12-22 US disclosed
JP-2000159697-A HYDROCARBON COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUI CHEMICALS INC 2000-06-13 JP 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-20110308592-A1 USE OF SUBSTITUTED PERYLENES IN ORGANIC SOLAR CELLS PPOX, JUP, CRY2 CYP1A2 1196/4885CYP1B1 1601/4885ALDH1A1 1214/4885
US-20120234380-A1 TERRYLENE COMPOUNDS, PREPARATION THEREOF AND USE THEREOF IN ORGANIC SOLAR CELLS TTI1, C1S, CD4 CYP1A2 294/4885CYP1B1 103/4885ALDH1A1 1813/4885

“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.