SCHEMBL20258262

SCHEMBL20258262

C=Nc1ccc(-c2ccc(C)cc2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ADRA2A P08913 1/20 0.36
MCL1 Q07820 1/20 0.35
ACHE P22303 1/20 0.33
RORC P51449 1/20 0.33
AR P10275 1/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
RCE1 Q9Y256 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
NTSR1 P30989 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 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
SCHEMBL18633573 0.86 HSD17B1 (0.39) CYP3A4TDP1ALDH1A1TSHRNPC1
SCHEMBL15417588 0.82 NPC1 (0.50) CYP3A4TDP1ALDH1A1TSHRNPC1
SCHEMBL20273737 0.78 RORC (0.35) CYP3A4TDP1ALDH1A1TSHRNPC1
SCHEMBL21386554 0.75 ALDH1A1 (0.38) CYP3A4TDP1ALDH1A1TSHRNPC1
SCHEMBL18269958 0.75 ALDH1A1 (0.38) CYP3A4TDP1ALDH1A1TSHRNPC1
SCHEMBL1047499 0.72 TDP1 (0.46) CYP3A4TDP1ALDH1A1TSHRNPC1
SCHEMBL6746274 0.71 TDP1 (0.41) CYP3A4TDP1ALDH1A1TSHRMCL1
SCHEMBL14601362 0.70 ACHE (0.42) TDP1ALDH1A1NPC1RAB9AACHE
SCHEMBL15765666 0.70 NPC1 (0.37) CYP3A4TDP1ALDH1A1NPC1RAB9A
SCHEMBL22919543 0.70 SIGMAR1 (0.47) CYP3A4ALDH1A1NPC1RAB9AADRA2A

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-11527728-B2 Organic electroluminescent compounds and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2022-12-13 US disclosed
EP-3636726-B1 MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2021-07-14 EP disclosed
US-20200106027-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2020-04-02 US disclosed
US-10547010-B2 Organic electroluminescent compounds and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-01-28 US disclosed
US-20190157569-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2019-05-23 US disclosed
WO-2019050170-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2019-03-14 WO disclosed
WO-2018105888-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2018-06-14 WO 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-11527728-B2 Organic electroluminescent compounds and organic electroluminescent device comprising the same VDAC1, VDAC2, VAPA CYP3A4 3298/4885TDP1 741/4885ALDH1A1 2484/4885
US-20190157569-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERT, ICOSLG, ELAVL1 CYP3A4 2788/4885TDP1 641/4885ALDH1A1 1095/4885
US-10547010-B2 Organic electroluminescent compounds and organic electroluminescent device comprising the same SOD1, ELAVL1, TERT CYP3A4 2771/4885TDP1 382/4885ALDH1A1 580/4885
US-20200106027-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME VDAC1, VDAC2, VAPA CYP3A4 3298/4885TDP1 741/4885ALDH1A1 2484/4885

“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.