SCHEMBL20154826

SCHEMBL20154826

CCc1sc2c(c1C(C)C)CCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
POLB P06746 2/20 0.34
RECQL P46063 2/20 0.34
NR4A1 P22736 1/20 0.34
PTPN7 P35236 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ATM Q13315 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL22313809 0.96 MEN1 (0.35) ALDH1A1POLBRECQLNR4A1PTPN7
SCHEMBL19389705 0.82 MEN1 (0.33) ALDH1A1POLBRECQLNR4A1PTPN7
SCHEMBL22789170 0.76 ALDH1A1 (0.34) ALDH1A1POLBRECQLHIF1ANPSR1
SCHEMBL19359604 0.76 PTGER4 (0.36)
SCHEMBL13328146 0.75 ALOX15 (0.33) ALDH1A1POLBRECQLMEN1KMT2A
SCHEMBL13029605 0.75 ALDH1A1 (0.37) ALDH1A1POLBRECQLMAPK1NPSR1
Hydrochloric Acid SCHEMBL22774638 0.72 ALDH1A1 (0.39) ALDH1A1POLBRECQLMAPK1NPSR1
SCHEMBL22789230 0.71 ALDH1A1 (0.39) ALDH1A1HIF1AMAPK1NPSR1MEN1
SCHEMBL18117472 0.71 KDM4E (0.38) ALDH1A1HIF1AMAPK1NPSR1SMN1; SMN2
SCHEMBL13030214 0.71 HSD17B10 (0.36) ALDH1A1HIF1AMAPK1MEN1KMT2A

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-11014928-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2021-05-25 US disclosed
US-20200247810-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2020-08-06 US disclosed
US-10414770-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2018-05-17 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 (4 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-20200247810-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB ALDH1A1 3815/4885POLB 394/4885RECQL 414/4885
US-10414770-B2 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB ALDH1A1 3815/4885POLB 394/4885RECQL 414/4885
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB ALDH1A1 3815/4885POLB 394/4885RECQL 414/4885
US-11014928-B2 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB ALDH1A1 3815/4885POLB 394/4885RECQL 414/4885

“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.