SCHEMBL13425322

SCHEMBL13425322

Cc1cccc(N(c2cccc(C)c2)c2c(C)cc(-c3cc(C)c(N(c4cccc(C)c4)c4cccc(C)c4)c(C)c3)cc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.44
HSD17B1 P14061 4/20 0.39
HSD17B2 P37059 4/20 0.39
SIGMAR1 Q99720 1/20 0.38
EGFR P00533 2/20 0.37
CSF1R P07333 2/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
NSD2 O96028 1/20 0.34
CASP3 P42574 1/20 0.34
KMT2A Q03164 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL13589319 0.94 ACHE (0.39) ACHEHSD17B1HSD17B2SIGMAR1EGFR
SCHEMBL10065623 0.86 ACHE (0.42) ACHEHSD17B1HSD17B2SIGMAR1EGFR
SCHEMBL13589798 0.84 ACHE (0.41) ACHEHSD17B1HSD17B2SIGMAR1EGFR
SCHEMBL14283658 0.84 HPGD (0.36) HSD17B1HSD17B2ALDH1A1TDP1TSHR
SCHEMBL766096 0.83 TP53 (0.38) ACHEHSD17B1HSD17B2EGFRCSF1R
SCHEMBL13826091 0.83 ACHE (0.48) ACHEHSD17B1HSD17B2SIGMAR1EGFR
SCHEMBL977663 0.82 ACHE (0.58) ACHEHSD17B1HSD17B2SIGMAR1EGFR
SCHEMBL134721 0.80 ACHE (0.55) ACHEHSD17B1HSD17B2SIGMAR1EGFR
SCHEMBL29692933 0.80 ACHE (0.55) ACHEHSD17B1HSD17B2SIGMAR1EGFR
SCHEMBL19473596 0.80 HSD17B1 (0.44) ACHEHSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657040-B2 Cyclic siloxane compound, organic electroluminescence device, and use of the same SAMSUNG ELECTRONICS CO., LTD (KR) 2017-05-23 US disclosed
US-9657040-B2 Cyclic siloxane compound, organic electroluminescence device, and use of the same SAMSUNG ELECTRONICS CO., LTD (KR) 2017-05-23 US disclosed
US-8735875-B2 Light emitting element, method for manufacturing light emitting element, image display device, and illuminating device SHOWA DENKO K.K. (JP) 2014-05-27 US disclosed
US-8735875-B2 Light emitting element, method for manufacturing light emitting element, image display device, and illuminating device SHOWA DENKO K.K. (JP) 2014-05-27 US disclosed
US-20120267614-A1 LIGHT EMITTING ELEMENT, METHOD FOR MANUFACTURING LIGHT EMITTING ELEMENT, IMAGE DISPLAY DEVICE, AND ILLUMINATING DEVICE SHOWA DENKO K.K. (JP) 2012-10-25 US disclosed
US-20120267614-A1 LIGHT EMITTING ELEMENT, METHOD FOR MANUFACTURING LIGHT EMITTING ELEMENT, IMAGE DISPLAY DEVICE, AND ILLUMINATING DEVICE SHOWA DENKO K.K. (JP) 2012-10-25 US disclosed
US-20100060150-A1 CYCLIC SILOXANE COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND USE OF THE SAME SAMSUNG ELECTRONICS CO., LTD (KR) 2010-03-11 US disclosed
US-20100060150-A1 CYCLIC SILOXANE COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND USE OF THE SAME SAMSUNG ELECTRONICS CO., LTD (KR) 2010-03-11 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-20100060150-A1 CYCLIC SILOXANE COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND USE OF THE SAME TMEM109, EPCAM, TRPM2 ACHE 1766/4885HSD17B1 4005/4885HSD17B2 4360/4885

“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.