SCHEMBL22313809

SCHEMBL22313809

CCc1sc2c(c1C(C)C)CCCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 6/20 0.33
ALOX15 P16050 3/20 0.33
HSD17B10 Q99714 3/20 0.33
RAB9A P51151 3/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NR4A1 P22736 1/20 0.32
PTPN7 P35236 1/20 0.32
RECQL P46063 1/20 0.32
BCL2L1 Q07817 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
SCHEMBL20154826 0.96 ALDH1A1 (0.35) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL19389705 0.86 MEN1 (0.33) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL19359604 0.76 PTGER4 (0.36)
SCHEMBL13030214 0.75 HSD17B10 (0.36) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL18117472 0.75 KDM4E (0.38) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL22789230 0.75 ALDH1A1 (0.39) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL22789350 0.73 MAPT (0.41) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL13328153 0.73 ALOX15 (0.35) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL13029606 0.73 ALDH1A1 (0.38) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL11987822 0.73 MAPT (0.36) MEN1KMT2AMAPTHTTALDH1A1

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-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

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-20200247810-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB MEN1 717/4885KMT2A 628/4885MAPT 676/4885
US-11014928-B2 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB MEN1 717/4885KMT2A 628/4885MAPT 676/4885

“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.