SCHEMBL12449293

SCHEMBL12449293

Brc1ccc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 10/20 0.43
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
HKDC1 Q2TB90 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP1 P09874 1/20 0.35
ENPP1 P22413 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL30170061 0.93 CYP1A2 (0.51) CYP1A2CYP1B1ALDH1A1MAPK1KDM4E
SCHEMBL959783 0.93 CYP1A2 (0.51) CYP1A2CYP1B1ALDH1A1MAPK1KDM4E
SCHEMBL21368134 0.88 CYP1A2 (0.53) CYP1A2CYP1B1ALDH1A1MAPK1KDM4E
SCHEMBL13085390 0.87 CYP1A2 (0.46) CYP1A2CYP1B1ALDH1A1MAPK1KDM4E
SCHEMBL13085294 0.87 MAPK1 (0.45) CYP1A2CYP1B1ALDH1A1MAPK1KDM4E
SCHEMBL4076119 0.84 ENPP1 (0.42) ALDH1A1MAPK1L3MBTL1PARP1ENPP1
SCHEMBL8097259 0.83 CYP1A2 (0.49) CYP1A2CYP1B1ALDH1A1MAPK1KDM4E
SCHEMBL24067768 0.83 CYP1A2 (0.43) CYP1A2CYP1B1ALDH1A1KDM4EMAPT
SCHEMBL14110179 0.83 CYP1A2 (0.47) CYP1A2CYP1B1ALDH1A1KDM4EMAPT
SCHEMBL14110175 0.83 CYP1A2 (0.47) CYP1A2CYP1B1ALDH1A1KDM4EMAPT

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-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

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-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.