SCHEMBL9971948

SCHEMBL9971948

c1ccc(-c2cccc(N(c3ccccc3)c3c4ccccc4cc4c(N(c5ccccc5)c5cccc(-c6ccccc6)c5)c5ccccc5cc34)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
CYP1B1 Q16678 2/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MPI P34949 1/20 0.35
HTR6 P50406 2/20 0.35
MGLL Q99685 1/20 0.34
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
PTGES O14684 1/20 0.33
MAOA P21397 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
APAF1 O14727 1/20 0.33
CASP3 P42574 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
SCHEMBL13580198 0.93 ALDH1A1 (0.37) ALDH1A1CYP1B1HIF1AHSD17B10KDM4E
SCHEMBL13580183 0.92 HSD17B1 (0.36) ALDH1A1HSD17B10KDM4EHPGDKMT2A
SCHEMBL9971871 0.88 MGLL (0.39) ALDH1A1KDM4EMAPTMGLLMAOA
SCHEMBL9971939 0.88 MGLL (0.39) ALDH1A1KDM4EMAPTMGLLMAOA
SCHEMBL1261768 0.88 ALDH1A1 (0.44) ALDH1A1CYP1B1HIF1AHSD17B10KDM4E
SCHEMBL14004004 0.86 CYP1A2 (0.34) ALDH1A1HSD17B10KDM4EHPGDKMT2A
SCHEMBL9971869 0.86 MGLL (0.41) ALDH1A1MGLLMAOAHDAC4HDAC2
SCHEMBL6846246 0.84 ALDH1A1 (0.38) ALDH1A1CYP1B1HIF1AHSD17B10KDM4E
SCHEMBL15883787 0.84 ALDH1A1 (0.37) ALDH1A1CYP1B1HIF1AHSD17B10KDM4E
SCHEMBL9971931 0.83 ALDH1A1 (0.39) ALDH1A1CYP1B1HIF1AHSD17B10KDM4E

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 ALDH1A1 2388/4885CYP1B1 1144/4885HIF1A 3576/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 ALDH1A1 2388/4885CYP1B1 1144/4885HIF1A 3576/4885
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ARL1, RIF1, EML4 ALDH1A1 699/4885CYP1B1 775/4885HIF1A 3654/4885
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 ALDH1A1 2388/4885CYP1B1 1144/4885HIF1A 3576/4885

“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.