SCHEMBL4451120

SCHEMBL4451120

c1ccc(-c2ccc3ccc4c(-c5ccccc5)cc(-c5ccccc5)c5ccc2c3c45)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
MPI P34949 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 2/20 0.39
MAOA P21397 2/20 0.39
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
HSD17B10 Q99714 2/20 0.38
BACE1 P56817 1/20 0.38
THRB P10828 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
Boric Acid SCHEMBL4586687 0.93 MEN1 (0.41) HPGDALDH1A1KDM4EMAPTMEN1
SCHEMBL2207895 0.91 ALDH1A1 (0.44) HPGDALDH1A1KDM4EMAPTMEN1
SCHEMBL3809322 0.91 ALDH1A1 (0.44) HPGDALDH1A1KDM4EMAPTMEN1
SCHEMBL15945813 0.89 GRM2 (0.41) HPGDKDM4EMAPTCYP1A2
SCHEMBL3689582 0.89 GSTP1 (0.46) HPGDALDH1A1KDM4EMAPTMEN1
SCHEMBL3918120 0.89 HPGD (0.37) HPGDALDH1A1KDM4EMAPTMEN1
SCHEMBL28137113 0.88 CYP1A2 (0.48) HPGDALDH1A1KDM4EMAPTMEN1
SCHEMBL11024611 0.87 ALDH1A1 (0.39) HPGDALDH1A1KDM4EMAPTMEN1
SCHEMBL27548280 0.87 BACE1 (0.41) HPGDALDH1A1KDM4EMAPTMEN1
SCHEMBL260886 0.87 BACE1 (0.48) HPGDALDH1A1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device KYUSHU UNIVERSITY (JP) 2009-07-16 US disclosed
US-20080012475-A1 Pyrene Based Compound, And Light Emitting Transistor Element And Electroluminescence Element Using The Same MITSUBISHI CHEMICAL CORPORATION (JP) 2008-01-17 US disclosed
CN-101072743-A Pyrene compound, and light-emitting transistor element and organic electroluminescent element using same PIONEER CORP (JP) 2007-11-14 CN disclosed
EP-1818322-A1 PYRENE COMPOUND AND, UTILIZING THE SAME, LIGHT EMITTING TRANSISTOR DEVICE AND ELECTROLUMINESCENCE DEVICE Rohm Co., Ltd. (JP) 2007-08-15 EP 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-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device PPOX, JUP, TARDBP HPGD 541/4885ALDH1A1 2077/4885KDM4E 4351/4885
US-20080012475-A1 Pyrene Based Compound, And Light Emitting Transistor Element And Electroluminescence Element Using The Same ARNT, ESR1, TEAD4 HPGD 2103/4885ALDH1A1 1298/4885KDM4E 3871/4885

“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.