SCHEMBL23740485

SCHEMBL23740485

c1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7ccc8ccccc8c76)ccc45)n3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32

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
SCHEMBL23740486 0.96 CYP1A2 (0.36) PGRALDH1A1KDM4EMEN1TP53
SCHEMBL23740529 0.95 CYP1A2 (0.36) ALDH1A1KDM4EMEN1TP53CYP1A2
SCHEMBL23740611 0.94 CYP1A1 (0.35) ALDH1A1KDM4EMEN1TP53CYP1A2
SCHEMBL21862834 0.93 PDPK1 (0.32) PGRALDH1A1KDM4EMEN1TP53
SCHEMBL24104886 0.92 PDPK1 (0.33) ALDH1A1KDM4EMEN1TP53CYP1A2
SCHEMBL23740687 0.90 KDM4E (0.34) PGRALDH1A1KDM4EMEN1TP53
SCHEMBL24361942 0.90 PIK3CD (0.37) HSD17B1HSD17B2ALDH1A1KDM4EMEN1
SCHEMBL24152558 0.90 PIK3CD (0.37) HSD17B1HSD17B2ALDH1A1KDM4EMEN1
SCHEMBL24118991 0.89 KDM4E (0.33) ALDH1A1KDM4EMEN1TP53CYP1A2
SCHEMBL23740397 0.89 PDPK1 (0.34) ALDH1A1KDM4EMEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395263-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE LT MATERIALS CO., LTD. (KR) 2021-12-23 US disclosed
EP-3862353-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE LT Materials Co., Ltd. (KR) 2021-08-11 EP 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-20210395263-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE ODC1, AOX1, CYP1B1 PGR 1171/4885HSD17B1 471/4885HSD17B2 641/4885

“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.