SCHEMBL24601605

SCHEMBL24601605

CC(C)c1ccc(-c2ccc3c(c2)c2c4c5cc(-c6ccc(C(C)(C)C)cc6)ccc5n5c6ccc(-c7ccc(C(C)(C)C)cc7)cc6c(c6c7cc(-c8ccc(C(C)(C)C)cc8)ccc7n3c26)c45)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 2/20 0.36
AKR1C3 P42330 1/20 0.36
PTPN5 P54829 3/20 0.35
PTGES O14684 1/20 0.34
GCGR P47871 4/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
KIF11 P52732 2/20 0.33
ICMT O60725 1/20 0.33
CASR P41180 1/20 0.33
PPARG P37231 1/20 0.33
SERPINE1 P05121 1/20 0.33
AKR1C1 Q04828 1/20 0.33
GRIA4 P48058 2/20 0.32
FFAR1 O14842 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
SCHEMBL24601484 0.90 KIF11 (0.40) PTGESKIF11ICMTCASRSERPINE1
SCHEMBL24601672 0.84 KIF11 (0.36) PTGESKIF11ICMTSERPINE1
SCHEMBL24601542 0.83 TSPO (0.38) KIF11SERPINE1
SCHEMBL24601457 0.83 TSPO (0.38) KIF11SERPINE1
SCHEMBL24601687 0.79 RXRB (0.40) KIF11ICMTSERPINE1
SCHEMBL22178468 0.78 RORA (0.38) PTGES2KIF11PPARG
SCHEMBL22178735 0.77 PARP15 (0.38) KIF11CASR
SCHEMBL26017048 0.76 KIF11 (0.52) AKR1C2AKR1C3PTPN5KIF11AKR1C1
SCHEMBL15801687 0.75 GPR88 (0.33) AKR1C2PTPN5CASRPPARGAKR1C1
SCHEMBL21658478 0.75 PTGES (0.41) AKR1C2AKR1C3PTPN5PTGESPPARG

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-20220213113-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUNDS, FLUORESCENCE EMITTERS, ORGANIC ELECTROLUMINESCENT DEVICES, AND MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-07-07 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-20220213113-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUNDS, FLUORESCENCE EMITTERS, ORGANIC ELECTROLUMINESCENT DEVICES, AND MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES NCL, NOC2L, NOLC1 AKR1C2 4467/4885AKR1C3 4237/4885PTPN5 4085/4885

“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.