SCHEMBL4087444

SCHEMBL4087444

C=C1CC1(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
EGFR P00533 2/20 0.40
SLC6A3 Q01959 4/20 0.36
HSD11B1 P28845 4/20 0.36
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 2/20 0.33
KDM1A O60341 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRND Q07001 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4095120 0.74 MAOB (0.41) MAOBMAOAEGFRKDM1A
SCHEMBL9037762 0.63 SLC6A3 (0.48) MAOBMAOASLC6A3HSD11B1SLC6A4
SCHEMBL13221434 0.63 MAOB (0.50) MAOBMAOASLC6A3HSD11B1SLC6A2
SCHEMBL13499 0.63
SCHEMBL3893851 0.62 LMNA (0.63) MAOBMAOAHSD11B1MEN1KMT2A
SCHEMBL1650476 0.62 MAOB (0.54) MAOBMAOASLC6A3KDM1A
SCHEMBL7824744 0.62 OPRM1 (0.53) MAOBMAOASLC6A4SLC6A2
SCHEMBL4573447 0.62 MAOB (0.43) MAOBMAOASLC6A3HSD11B1SLC6A4
SCHEMBL12293743 0.62 MAOB (0.43) MAOBMAOAEGFRSLC6A3HSD11B1
SCHEMBL56590 0.62 MAOB (0.48) MAOBMAOASLC6A3

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-20090163743-A1 LUMINESCENCE SYSTEM, METHOD OF LUMINESCENCE, AND CHEMICAL SUBSTANCE FOR LUMINESCENCE HOSHI YOUSUKE 2009-06-25 US disclosed
US-20070138945-A1 Luminescence system, method of luminescence, and chemical substance for luminescence HITACHI CHIEMICAL CO., LTD., (JP) 2007-06-21 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 (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-20070138945-A1 Luminescence system, method of luminescence, and chemical substance for luminescence GLO1, TYR, GUSB MAOB 65/4885MAOA 75/4885EGFR 1435/4885
US-20090163743-A1 LUMINESCENCE SYSTEM, METHOD OF LUMINESCENCE, AND CHEMICAL SUBSTANCE FOR LUMINESCENCE GLO1, TYR, GUSB MAOB 65/4885MAOA 75/4885EGFR 1435/4885

“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.