SCHEMBL21446536

SCHEMBL21446536

CC1(C)c2ccccc2-c2cc(Nc3ccccc3-c3ccc4sc5ccccc5c4c3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.37
▸ MAPT P10636 3/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ DHODH Q02127 1/20 0.32
▸ PARP14 Q460N5 1/20 0.31
▸ GPR3 P46089 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ IDO1 P14902 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
SCHEMBL17742402 0.87 PTGIR (0.44) PTGIRMAPTDHODHPARP14GPR3
SCHEMBL25124742 0.84 PDK2 (0.37) MAPTHPGDSMN1; SMN2PDK2
SCHEMBL25125149 0.84 ALOX5 (0.36) PTGIRMAPTALOX5PARP14GPR3
SCHEMBL21446453 0.83 PARP14 (0.49) PTGIRMAPTALOX5PARP14PDK2
SCHEMBL22136344 0.83 PTGIR (0.34) PTGIRMAPTDHODHPDK2
SCHEMBL22679979 0.83 RIPK2 (0.37) PTGIRMAPTPDK2
SCHEMBL19147810 0.82 RIPK2 (0.35) PTGIRMAPTALDH1A1HPGDRAB9A
SCHEMBL23371584 0.82 MAPT (0.42) PTGIRMAPTDHODHGPR3ALDH1A1
SCHEMBL15714096 0.82 PDK2 (0.38) PTGIRMAPTALOX5DHODHGPR3
SCHEMBL21446457 0.81 MAPT (0.35) PTGIRMAPTALOX5DHODHPARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 — — US disclosed
US-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 — — US disclosed
US-20210147375-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-05-20 — — US disclosed
WO-2019192954-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-10-10 — — WO 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-20210147375-A1 MATERIALS FOR ELECTRONIC DEVICES PNMT, EFNA1, TES PTGIR 2841/4885MAPT 2579/4885ALOX5 2210/4885

“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.

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