SCHEMBL4099398

SCHEMBL4099398

C=C1CC1(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.39
SLC6A4 P31645 7/20 0.39
SLC6A2 P23975 6/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.33
CYP2A6 P11509 3/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM1A O60341 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 2/20 0.32
NR4A1 P22736 1/20 0.32
NR4A2 P43354 1/20 0.32
NR4A3 Q92570 1/20 0.32
CYP3A4 P08684 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
SCHEMBL4095120 0.76 MAOB (0.41) KDM1A
SCHEMBL4083002 0.69 SLC6A4 (0.41) SLC6A3SLC6A4SLC6A2KDM1ACYP1A2
SCHEMBL4096980 0.67 ALDH1A1 (0.39) SLC6A3SLC6A4SLC6A2MAPK1ALDH1A1
SCHEMBL15657386 0.67 CFTR (0.45) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL4096847 0.66 KDM1A (0.43) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL20020048 0.66 TSHR (0.38) KDM4EMEN1MAPK1KMT2AALDH1A1
SCHEMBL576944 0.64 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL23709164 0.63 MAPK1 (0.40) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL19809334 0.63 MEN1 (0.44) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL1160451 0.63 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2KDM4EMEN1

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
CN-100512582-C Light emitting system, light emitting method and chemical substance for light emission HITACHI CHEMICAL CO LTD (JP) 2009-07-08 CN disclosed
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
CN-1898995-A Light emitting system, light emitting method and chemical substance for light emission HITACHI CHEMICAL CO LTD (JP) 2007-01-17 CN 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 SLC6A3 243/4885SLC6A4 614/4885SLC6A2 291/4885
US-20090163743-A1 LUMINESCENCE SYSTEM, METHOD OF LUMINESCENCE, AND CHEMICAL SUBSTANCE FOR LUMINESCENCE GLO1, TYR, GUSB SLC6A3 243/4885SLC6A4 614/4885SLC6A2 291/4885

“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.