SCHEMBL13744281

SCHEMBL13744281

Cc1c(C(C)C)sc2sccc12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 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
SCHEMBL13328161 0.82 KDM4E (0.31) KDM4EMAPTALDH1A1GAAHTT
SCHEMBL13360489 0.73 KDM4E (0.33) KDM4EMAPTALDH1A1GAAHTT
SCHEMBL14221400 0.71 KDM4E (0.30) KDM4EMAPT
SCHEMBL18876216 0.70 KDM4E (0.32) KDM4EMAPTALDH1A1GAAHTT
SCHEMBL18876287 0.70 KDM4E (0.32) KDM4EMAPTALDH1A1GAAHTT
SCHEMBL1121529 0.70 KDM4E (0.32) KDM4EMAPTALDH1A1GAAHTT
SCHEMBL18876124 0.69 GPR35 (0.34)
SCHEMBL9414147 0.69 KDM4E (0.34) KDM4EMAPTALDH1A1GAAHTT
SCHEMBL24595786 0.67 KDM4E (0.30) KDM4EMAPT
SCHEMBL12425595 0.67 GPR3 (0.46) KDM4EMAPTALDH1A1GAA

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-7572784-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-11 US disclosed
US-20070185087-A1 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 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-20070185087-A1 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB KDM4E 774/4885MAPT 676/4885ALDH1A1 3815/4885

“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.