SCHEMBL12449285

SCHEMBL12449285

N#Cc1ccc2c3c(-c4ccccc4)c4c5ccc6c7ccc8c9ccc%10c%11c(-c%12ccccc%12)c%12c%13cccc%14cccc(c%12c(-c%12ccccc%12)c%11c%11ccc(c%12ccc(c%15ccc(c4c(-c4ccccc4)c3c3cccc1c32)c5c%156)c7c%128)c9c%11%10)c%14%13

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 3/20 0.35
THRB P10828 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
MAOA P21397 2/20 0.33
KMT2A Q03164 2/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33

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
SCHEMBL1062001 0.97 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTGAACA1
SCHEMBL12961853 0.94 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTGAACA1
SCHEMBL12961859 0.94 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTGAACA1
SCHEMBL12449280 0.86 KDM4E (0.37) ALDH1A1KDM4EMAPTGAAIMPDH2
SCHEMBL12449278 0.86 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTGAAHSD17B10
SCHEMBL12961860 0.85 KDM4E (0.36) ALDH1A1KDM4EMAPTGAAIMPDH2
SCHEMBL12449283 0.85 KDM4E (0.36) ALDH1A1KDM4EMAPTGAAIMPDH2
SCHEMBL12449284 0.85 KDM4E (0.36) ALDH1A1KDM4EMAPTGAAIMPDH2
SCHEMBL12449281 0.85 KDM4E (0.36) ALDH1A1KDM4EMAPTGAACYP1A2
SCHEMBL893104 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTGAACA1

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 3 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-2012123888-A1 TERRYLENE COMPOUNDS, PREPARATION THEREOF AND USE THEREOF IN ORGANIC SOLAR CELLS BASF SE (DE) 2012-09-20 WO 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 ALDH1A1 1813/4885KDM4E 2460/4885MAPT 3702/4885

“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.