SCHEMBL24601577

SCHEMBL24601577

CC(C)(C)c1ccc(-c2ccc3c(c2)c2c4c5cccc(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c5n5c6ccc(-c7ccc(C(C)(C)C)cc7)cc6c(c6c7cccc(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c7n3c26)c45)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.35
RXRA P19793 3/20 0.32
RXRB P28702 3/20 0.32
KIF11 P52732 1/20 0.32
ICMT O60725 2/20 0.31
RXRG P48443 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
DHODH Q02127 1/20 0.30
ASIC1 P78348 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL24601585 0.95 RXRB (0.36) SERPINE1RXRARXRBKIF11ICMT
SCHEMBL24601832 0.94 RXRB (0.36) SERPINE1RXRARXRBKIF11RXRG
SCHEMBL24601558 0.93 ICMT (0.35) SERPINE1KIF11ICMTALDH1A1
SCHEMBL24601670 0.92 NR3C1 (0.33) RXRARXRBKIF11ICMT
SCHEMBL24601742 0.91 DNMT1 (0.34) SERPINE1RXRARXRBKIF11ALDH1A1
SCHEMBL24601737 0.90 RXRA (0.32) SERPINE1RXRARXRBKIF11RXRG
SCHEMBL24601559 0.89 ICMT (0.38) SERPINE1ICMTDHODHALDH1A1
SCHEMBL24601671 0.89 ICMT (0.39) SERPINE1RXRARXRBICMTDHODH
SCHEMBL24601613 0.87 DNMT1 (0.34) KIF11ALDH1A1
SCHEMBL24601760 0.87 EPHX2 (0.35) KIF11ICMTDHODHALDH1A1

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 SERPINE1 4819/4885RXRA 4654/4885RXRB 4748/4885

“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.