SCHEMBL18650201

SCHEMBL18650201

CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.33
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
CRHR1 P34998 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
SLC6A9 P48067 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
PDK2 Q15119 1/20 0.32
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL17690786 0.99 SIGMAR1 (0.33) SIGMAR1MCL1ACMSDCRHR1CA12
SCHEMBL19152112 0.98 SIGMAR1 (0.34) SIGMAR1MCL1ACMSDCRHR1CA12
SCHEMBL17690838 0.96 CA12 (0.33) SIGMAR1MCL1ACMSDCRHR1CA12
SCHEMBL17690904 0.96 SIGMAR1 (0.35) SIGMAR1MCL1ACMSDPDK2KIF11
SCHEMBL24904796 0.94 SIGMAR1 (0.32) SIGMAR1MCL1ACMSDCRHR1CA12
SCHEMBL17740627 0.94 SLC6A9 (0.35) SIGMAR1CRHR1CA12CA1CA2
SCHEMBL18650196 0.93 PDK2 (0.34) SIGMAR1MCL1ACMSDCRHR1CA12
SCHEMBL18802591 0.93 SIGMAR1 (0.34) SIGMAR1CA12CA1CA2CA9
SCHEMBL17690918 0.92 SIGMAR1 (0.31) SIGMAR1
SCHEMBL10135823 0.92 PDK2 (0.33) SIGMAR1MCL1ACMSDCRHR1CA12

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-20170084845-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-03-23 US disclosed
US-20170084845-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-03-23 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-20170084845-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OCIAD1, OCIAD2, OR10J3 SIGMAR1 1295/4885MCL1 4587/4885ACMSD 1282/4885

“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.