SCHEMBL9971932

SCHEMBL9971932

c1ccc(-c2ccc3c(N(c4ccccc4)c4cccc5ccccc45)c4cc(-c5ccccc5)ccc4c(N(c4ccccc4)c4cccc5ccccc45)c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.38
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
CYP1A1 P04798 2/20 0.33
CYP1B1 Q16678 2/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
CYP1A2 P05177 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DHFR P00374 1/20 0.32
SLC6A9 P48067 1/20 0.31
ESR1 P03372 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
SCHEMBL14867174 0.97 SIGMAR1 (0.35) SIGMAR1CA12CA1CA2CA9
SCHEMBL13615838 0.96 SIGMAR1 (0.38) SIGMAR1CA12CA1CA2CA9
SCHEMBL14867161 0.89 SIGMAR1 (0.40) SIGMAR1CA12CA1CA2CA9
SCHEMBL14867156 0.89 MCL1 (0.42) SIGMAR1CA12CA1CA2CA9
SCHEMBL2332208 0.86 SIGMAR1 (0.43) SIGMAR1CYP1B1CYP1A2L3MBTL1ALDH1A1
SCHEMBL4650694 0.86 SIGMAR1 (0.47) SIGMAR1CYP1A2L3MBTL1ALDH1A1HPGD
SCHEMBL22671798 0.85 ESR1 (0.33) SIGMAR1CA12CA1CA2CA9
SCHEMBL16437967 0.85 HPRT1 (0.39) SIGMAR1CA12CA1CA2CA9
SCHEMBL15294240 0.85 SIGMAR1 (0.40) SIGMAR1CA12CA1CA2CA9
SCHEMBL17426579 0.85 SIGMAR1 (0.40) SIGMAR1CA12CA1CA2CA9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-07-21 US disclosed
US-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-07-21 US disclosed
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 US disclosed
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 US disclosed
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN 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 (4 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-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 SIGMAR1 1172/4885CA12 529/4885CA1 1333/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 SIGMAR1 1172/4885CA12 529/4885CA1 1333/4885
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ARL1, RIF1, EML4 SIGMAR1 654/4885CA12 4757/4885CA1 4514/4885
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 SIGMAR1 1172/4885CA12 529/4885CA1 1333/4885

“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.