SCHEMBL20439222

SCHEMBL20439222

CC(C)(CCC(C)(C)c1cccc2nsnc12)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ PTPN5 P54829 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL19177266 0.80 KDM4E (0.46) KDM4EMAPTHSD17B10HIF1ADUSP3
SCHEMBL3439599 0.76 MAPT (0.57) KDM4EMAPTHSD17B10HIF1ADUSP3
SCHEMBL21895251 0.73 KDM4E (0.48) KDM4EMAPTHSD17B10HIF1ADUSP3
SCHEMBL21577671 0.71 MAPT (0.36) KDM4EMAPTHSD17B10HIF1AALDH1A1
SCHEMBL3368788 0.71 TAAR1 (0.64) MAPTHIF1AALDH1A1KMT2ATAAR1
SCHEMBL24702447 0.67 TAAR1 (0.45) HIF1AALDH1A1TAAR1
SCHEMBL21755768 0.65 TAAR1 (0.56) HIF1AALDH1A1TAAR1
SCHEMBL12775851 0.65 KDM4E (0.47) KDM4EMAPTHSD17B10HIF1ADUSP3
SCHEMBL19670976 0.64 TAAR1 (0.50) HIF1AALDH1A1TAAR1
SCHEMBL13401708 0.64 ALDH1A1 (0.52) KDM4EMAPTHSD17B10HIF1ADUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10383881-B2 1,5-dihydro-2H-pyrrol-2-one compounds and methods of using same Frequency Therapeutics, Inc. (US) 2019-08-20 — — US disclosed
US-20180214458-A1 1,5-DIHYDRO-2H-PYRROL-2-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2018-08-02 — — 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 (2 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-20180214458-A1 1,5-DIHYDRO-2H-PYRROL-2-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MKI67, MCL1 KDM4E 1555/4885MAPT 4535/4885HSD17B10 1954/4885
US-10383881-B2 1,5-dihydro-2H-pyrrol-2-one compounds and methods of using same DCX, MKI67, MCL1 KDM4E 1555/4885MAPT 4535/4885HSD17B10 1954/4885

“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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