SCHEMBL4444145

SCHEMBL4444145

CCCc1ccc(C=Cc2ccc3ccc4c(C=Cc5ccc(CCC)cc5)ccc5ccc2c3c54)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.38
THRB P10828 2/20 0.34
DHFR P00374 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KLF5 Q13887 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHAT P28329 1/20 0.33
GPR183 P32249 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL3478454 0.91 GRIN2D (0.41) MCHR1THRBKDM4EALDH1A1HPGD
SCHEMBL4449928 0.91 GRIN2D (0.41) MCHR1THRBKDM4EALDH1A1HPGD
SCHEMBL4449932 0.91 GRIN2D (0.41) MCHR1THRBKDM4EALDH1A1HPGD
SCHEMBL3478453 0.91 GRIN2D (0.41) MCHR1THRBKDM4EALDH1A1HPGD
SCHEMBL4441478 0.87 ALOX5 (0.44) MCHR1DHFRKDM4ESMN1; SMN2CHAT
SCHEMBL3474496 0.78 NFE2L2 (0.47) DHFRKDM4ESMN1; SMN2ALOX5PTGS1
SCHEMBL3474498 0.78 NFE2L2 (0.47) DHFRKDM4ESMN1; SMN2ALOX5PTGS1
SCHEMBL28789717 0.76 GUSB (0.41) ALDH1A1HPGDCHAT
SCHEMBL9099842 0.75 ALDH1A1 (0.45) THRBALDH1A1HPGDCHAT
SCHEMBL9407210 0.75 ALDH1A1 (0.45) THRBALDH1A1HPGDCHAT

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 1 patent. 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

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-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device PPOX, JUP, TARDBP MCHR1 3713/4885THRB 2414/4885DHFR 398/4885

“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.