SCHEMBL4096980

SCHEMBL4096980

C=C1CC1(c1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM1A O60341 3/20 0.36
MAOB P27338 3/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
CYP3A4 P08684 1/20 0.36
TAAR1 Q96RJ0 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
SCHEMBL4095120 0.89 MAOB (0.41) KDM1AMAOBMAOA
SCHEMBL4082596 0.86 SLC6A2 (0.36) ALDH1A1SLC6A2SLC6A4SLC6A3NPC1
SCHEMBL4096847 0.81 KDM1A (0.43) ALDH1A1KDM1AMAOBMAPK1TDP1
SCHEMBL4083002 0.76 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3KDM1ACYP1A2
SCHEMBL4085436 0.74 KDM1A (0.34) ALDH1A1KDM1AMAOBCYP3A4TDP1
SCHEMBL5998294 0.70 ALDH1A1 (0.38) ALDH1A1MAOBTAAR1MMP3BCL2L1
SCHEMBL4087444 0.70 MAOB (0.46) ALDH1A1SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL5713324 0.67 ALDH1A1 (0.47) ALDH1A1SLC6A2SLC6A4SLC6A3MAPK1
SCHEMBL11112975 0.67 SLC6A2 (0.44) ALDH1A1SLC6A2SLC6A4SLC6A3MAPK1
SCHEMBL2637802 0.66 ALDH1A1 (0.90) ALDH1A1SLC6A4NPC1RAB9AMAPK1

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 ALDH1A1 48/4885SLC6A2 291/4885SLC6A4 614/4885
US-20090163743-A1 LUMINESCENCE SYSTEM, METHOD OF LUMINESCENCE, AND CHEMICAL SUBSTANCE FOR LUMINESCENCE GLO1, TYR, GUSB ALDH1A1 48/4885SLC6A2 291/4885SLC6A4 614/4885

“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.