SCHEMBL4054971

SCHEMBL4054971

c1ccc(-c2ccc(Nc3ccccc3-c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HPGD P15428 3/20 0.58
CDC25B P30305 2/20 0.58
TP53 P04637 2/20 0.58
TSHR P16473 2/20 0.58
ATM Q13315 2/20 0.58
HSD17B10 Q99714 2/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
KDM4E B2RXH2 5/20 0.48
MAPT P10636 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 2/20 0.47
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43

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
SCHEMBL29772965 1.00 ALDH1A1 (0.58) ALDH1A1HPGDCDC25BTP53TSHR
SCHEMBL347485 0.97 ALDH1A1 (0.56) ALDH1A1HPGDCDC25BTP53TSHR
SCHEMBL21168453 0.95 ALDH1A1 (0.56) ALDH1A1HPGDCDC25BTP53TSHR
SCHEMBL21905509 0.93 CDC25B (0.53) ALDH1A1HPGDCDC25BTP53TSHR
SCHEMBL30035585 0.93 CDC25B (0.53) ALDH1A1HPGDCDC25BTP53TSHR
SCHEMBL30724563 0.92 ALDH1A1 (0.56) ALDH1A1HPGDCDC25BTP53TSHR
SCHEMBL20317132 0.92 ALDH1A1 (0.56) ALDH1A1HPGDCDC25BTP53TSHR
SCHEMBL24910923 0.92 CDC25B (0.55) ALDH1A1HPGDCDC25BTP53TSHR
SCHEMBL29830213 0.92 CDC25B (0.55) ALDH1A1HPGDCDC25BTP53TSHR
SCHEMBL21187878 0.91 ALDH1A1 (0.49) ALDH1A1HPGDCDC25BTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146343-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-08-03 WO disclosed
WO-2023140529-A1 ORGANIC ELECTRIC ELEMENT USING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-07-27 WO disclosed
WO-2023140528-A1 ORGANIC ELECTRIC ELEMENT USING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-07-27 WO disclosed
WO-2023003403-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed
WO-2023002447-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed
WO-2023287228-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2023-01-19 WO disclosed
WO-2023287255-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-01-19 WO disclosed
US-8343636-B2 Crosslinkable hole-transporting materials for organic light-emitting devices UNIVERSITY OF WASHINGTON (US) 2013-01-01 US disclosed
US-20090278445-A1 CROSSLINKABLE HOLE-TRANSPORTING MATERIALS FOR ORGANIC LIGHT-EMITTING DEVICES WASHINGTON, UNIVERSITY OF (US) 2009-11-12 US disclosed
EP-2024419-A2 CROSSLINKABLE HOLE-TRANSPORTING MATERIALS FOR ORGANIC LIGHT-EMITTING DEVICES University of Washington (US) 2009-02-18 EP disclosed
WO-2007133633-A2 CROSSLINKABLE HOLE-TRANSPORTING MATERIALS FOR ORGANIC LIGHT-EMITTING DEVICES UNIVERSITY OF WASHINGTON (US) 2007-11-22 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 (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-20090278445-A1 CROSSLINKABLE HOLE-TRANSPORTING MATERIALS FOR ORGANIC LIGHT-EMITTING DEVICES SUN2, HTT, SLC29A1 ALDH1A1 828/4885HPGD 818/4885CDC25B 3529/4885

“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.