SCHEMBL24601402

SCHEMBL24601402

CC(C)(C)c1ccc(C(C)(C)c2ccc3c4c5c6ccc(-c7ccccc7)cc6n6c7cc(C(C)(C)c8ccc(C(C)(C)C)cc8)ccc7c(c7c8ccc(-c9ccccc9)cc8n(c3c2)c74)c56)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.38
MAOB P27338 1/20 0.36
SERPINE1 P05121 2/20 0.35
DHODH Q02127 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
KIF11 P52732 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
LIMK1 P53667 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP19A1 P11511 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRM2 Q14416 1/20 0.33
ASIC1 P78348 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 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
SCHEMBL24601515 0.97 HSD17B2 (0.35) HSD17B2MAOBSERPINE1DHODHCNR1
SCHEMBL24601397 0.95 CNR1 (0.38) HSD17B2MAOBCNR1CNR2KIF11
SCHEMBL24601401 0.94 SERPINE1 (0.37) HSD17B2MAOBSERPINE1DHODHCNR1
SCHEMBL24601422 0.93 RXRA (0.38) HSD17B2MAOBSERPINE1CNR1CNR2
SCHEMBL24601516 0.90 RXRB (0.35) SERPINE1CNR1CNR2KIF11RXRA
SCHEMBL24601405 0.88 CNR1 (0.36) HSD17B2MAOBSERPINE1CNR1CNR2
SCHEMBL24601425 0.87 RXRA (0.35) HSD17B2MAOBSERPINE1KIF11RXRA
SCHEMBL24601428 0.86 ESR1 (0.37) MAOBCNR1CNR2KIF11RXRA
SCHEMBL24601540 0.86 ALDH1A1 (0.37) HSD17B2MAOBSERPINE1KIF11RXRA
SCHEMBL24601344 0.86 ALDH1A1 (0.37) HSD17B2MAOBSERPINE1KIF11RXRA

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 HSD17B2 4842/4885MAOB 2002/4885SERPINE1 4819/4885

“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.