SCHEMBL4586944

SCHEMBL4586944

c1ccc2c(-c3c(-c4cccc5ccccc45)c4ccc5cccc6ccc(c3-c3cccc7ccccc37)c4c56)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.47
ERBB2 P04626 1/20 0.47
FYN P06241 1/20 0.47
MAOA P21397 1/20 0.47
ACHE P22303 1/20 0.47
AHR P35869 1/20 0.47
HSD17B10 Q99714 9/20 0.46
ALDH1A1 P00352 9/20 0.46
HPGD P15428 7/20 0.46
THRB P10828 1/20 0.46
HPRT1 P00492 1/20 0.44
TSHR P16473 7/20 0.44
CYP3A4 P08684 3/20 0.44
CYP1B1 Q16678 2/20 0.44
CYP1A1 P04798 1/20 0.44
MAPK1 P28482 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
ATM Q13315 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
CYP2A6 P11509 1/20 0.42

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
SCHEMBL27263879 0.82 ALDH1A1 (0.53) CYP1A2HSD17B10ALDH1A1HPGDHPRT1
SCHEMBL27499366 0.82 CYP1A2 (0.55) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29786980 0.82 TYMP (0.45) CYP1A2HSD17B10ALDH1A1HPGDTHRB
SCHEMBL27520056 0.81 ALDH1A1 (0.42) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL441488 0.79 HSD17B10 (0.56) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25404300 0.78 ALDH1A1 (0.46) CYP1A2HSD17B10ALDH1A1HPGDTHRB
SCHEMBL4855248 0.78 ALDH1A1 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL31415913 0.78 HPRT1 (0.50) CYP1A2HSD17B10ALDH1A1HPGDTHRB
SCHEMBL3786972 0.77 HSD17B10 (0.58) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL3792057 0.77 HSD17B10 (0.58) CYP1A2ERBB2FYNMAOAACHE

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-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
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 (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-20080012475-A1 Pyrene Based Compound, And Light Emitting Transistor Element And Electroluminescence Element Using The Same ARNT, ESR1, TEAD4 CYP1A2 191/4885ERBB2 1872/4885FYN 3201/4885

“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.