SCHEMBL18094451

SCHEMBL18094451

Cc1cc(C)c2ccc3c(Br)cc(Br)c4ccc1c2c43

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 2/20 0.32
KDM4E B2RXH2 3/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
AGTR1 P30556 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL14302441 0.95 ALDH1A1 (0.35) ALDH1A1TSHRCYP3A4HPGDHSD17B10
SCHEMBL14278660 0.95 ALDH1A1 (0.35) ALDH1A1TSHRCYP3A4HPGDHSD17B10
SCHEMBL1705445 0.92 ALDH1A1 (0.36) ALDH1A1TSHRCYP3A4HPGDHSD17B10
SCHEMBL18461408 0.84 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4HPGDHSD17B10
SCHEMBL1005904 0.84 HSP90AA1 (0.33) ALDH1A1TDP1KDM4ETP53HTT
SCHEMBL28217140 0.82 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4HPGDHSD17B10
SCHEMBL17301471 0.81 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4HPGDHSD17B10
SCHEMBL17068910 0.81 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4HPGDHSD17B10
SCHEMBL14450395 0.81
SCHEMBL17083625 0.79 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3196198-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME Idemitsu Kosan Co., Ltd (JP) 2017-07-26 EP disclosed
CN-106170481-A Novel compound and organic electroluminescent element using same 出光兴产株式会社 2016-11-30 CN disclosed
US-20160284998-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE OBTAINED BY USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-09-29 US disclosed
US-20160284998-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE OBTAINED BY USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-09-29 US disclosed
US-20160284998-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE OBTAINED BY USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-09-29 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-20160284998-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE OBTAINED BY USING SAME EPB41, RPS4X, OR10J3 ALDH1A1 695/4885TSHR 1634/4885CYP3A4 779/4885

“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.