SCHEMBL21716201

SCHEMBL21716201

c1ccc2cc3c(cc2c1)c1cc(-n2c4ccccc4c4ccccc42)ccc1n3-c1nc2ccccc2nc1-c1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.34
NPY5R Q15761 3/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GSR P00390 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30
TUBA1A Q71U36 1/20 0.30
TUBA1C Q9BQE3 1/20 0.30

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
SCHEMBL21717054 1.00 PTGER4 (0.34) PTGER4NPY5RESR1ESR2KDM4E
SCHEMBL21213628 0.93 ESR1 (0.35) PTGER4NPY5RESR1ESR2L3MBTL1
SCHEMBL21716817 0.92 KDM4E (0.39) PTGER4NPY5RESR1ESR2KDM4E
SCHEMBL21716468 0.92 KDM4E (0.39) PTGER4NPY5RESR1ESR2KDM4E
SCHEMBL21716926 0.92 TUBB4A (0.37) PTGER4ESR1ESR2KDM4EATM
SCHEMBL22425676 0.92 TUBB4A (0.37) PTGER4ESR1ESR2KDM4EATM
SCHEMBL21716783 0.92 TUBB4A (0.37) PTGER4ESR1ESR2KDM4EATM
SCHEMBL21716983 0.92 PTGER4 (0.31) PTGER4
SCHEMBL21716228 0.92 PTGES (0.32) KDM4EGSR
SCHEMBL21716217 0.91 L3MBTL1 (0.36) PTGER4NPY5RKDM4EATML3MBTL1

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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 US disclosed
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 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 (2 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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CYP1B1, CRY1 PTGER4 1167/4885NPY5R 4373/4885ESR1 195/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 PTGER4 1167/4885NPY5R 4373/4885ESR1 195/4885

“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.