SCHEMBL25050872

SCHEMBL25050872

c1ccc2cc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5c4oc4ccccc45)n3)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.35
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
ALOX5 P09917 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 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
SCHEMBL23736597 0.97 CHEK2 (0.36) CHEK2NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL23736967 0.97 ALOX5 (0.33) CHEK2NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL25050811 0.94 KDM4E (0.33) CHEK2NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL23737547 0.94 CHEK2 (0.35) CHEK2SIRT2SIRT1ALOX5
SCHEMBL23736919 0.94 CHEK2 (0.35) CHEK2ALOX5
SCHEMBL23736588 0.94 ALDH1A1 (0.33) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL25048865 0.94 HCRTR1 (0.33) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL24382740 0.94 TUBB4A (0.33) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL25051429 0.94 CHEK2 (0.36) CHEK2NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL23738711 0.93 CYP1A1 (0.32) NPC1CYP1A2CYP2C9CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230049674-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2023-02-16 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-20230049674-A1 ORGANIC LIGHT EMITTING DEVICE CRY2, ELOVL1, CRY1 CHEK2 2378/4885NPC1 3805/4885CYP1A2 64/4885

“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.