SCHEMBL24601591

SCHEMBL24601591

CC(C)(C)c1ccc(-c2cc(-c3ccccc3)c(-c3ccc4c(c3)c3c5c6cc(C(C)(C)C)ccc6n6c7ccc(-c8c(-c9ccccc9)cc(-c9ccc(C(C)(C)C)cc9)cc8-c8ccccc8)cc7c(c7c8cc(C(C)(C)C)ccc8n4c37)c56)c(-c3ccccc3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.37
CYP19A1 P11511 2/20 0.36
GPR84 Q9NQS5 1/20 0.36
DNMT1 P26358 3/20 0.34
HSD17B2 P37059 1/20 0.33
DHODH Q02127 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PGR P06401 1/20 0.32
RORA P35398 1/20 0.32
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
HTR1D P28221 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
KIF11 P52732 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
SCHEMBL24601596 0.94 SERPINE1 (0.36) SERPINE1CYP19A1GPR84DNMT1HSD17B2
SCHEMBL24601598 0.94 SERPINE1 (0.38) SERPINE1CYP19A1GPR84DNMT1HSD17B2
SCHEMBL24601801 0.94 GPR84 (0.37) SERPINE1CYP19A1GPR84HSD17B2DHODH
SCHEMBL24601565 0.93 DNMT1 (0.36) SERPINE1CYP19A1GPR84DNMT1ALDH1A1
SCHEMBL24601567 0.89 SERPINE1 (0.37) SERPINE1CYP19A1GPR84DNMT1HSD17B2
SCHEMBL24601800 0.88 GPR84 (0.37) SERPINE1GPR84HSD17B2DHODHALDH1A1
SCHEMBL24601560 0.87 SERPINE1 (0.35) SERPINE1CYP19A1GPR84DNMT1ALDH1A1
SCHEMBL24601643 0.87 DNMT1 (0.36) SERPINE1GPR84DNMT1ALDH1A1MAPT
SCHEMBL24601566 0.87 SERPINE1 (0.33) SERPINE1GPR84DNMT1ALDH1A1KIF11
SCHEMBL24601787 0.85 GPR84 (0.34) SERPINE1GPR84ALDH1A1MAPT

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 4819/4885CYP19A1 4125/4885GPR84 4574/4885

“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.