SCHEMBL13178752

SCHEMBL13178752

COCCOc1cc(I)ccc1OCCO

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.42
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 2/20 0.38
EGFR P00533 1/20 0.37
IDO1 P14902 1/20 0.37
FDPS P14324 4/20 0.36
HPGD P15428 1/20 0.36
SCD O00767 1/20 0.36
KCNH2 Q12809 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL13650180 0.81 L3MBTL1 (0.53) TUBB1KMT2AKDM4EGAAALDH1A1
SCHEMBL10005197 0.78 LMNA (0.52) KMT2AKDM4EGAAALDH1A1MEN1
SCHEMBL4473487 0.77 KDM4E (0.40) TUBB1KMT2AKDM4EGAAALDH1A1
SCHEMBL15197103 0.77 TSHR (0.40) KMT2AKDM4EALDH1A1POLBHTT
SCHEMBL1021607 0.77 HPGD (0.40) KMT2AKDM4EALDH1A1POLBMEN1
SCHEMBL13531028 0.76 FDPS (0.67) TUBB1KMT2AKDM4EGAAALDH1A1
SCHEMBL1727175 0.76 KDM4E (0.34) KMT2AKDM4EALDH1A1POLBMEN1
SCHEMBL28089646 0.76 L3MBTL1 (0.50) KMT2AKDM4EALDH1A1POLBMEN1
SCHEMBL28986269 0.76 L3MBTL1 (0.48) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL1612735 0.76 GAA (0.46) KMT2AKDM4EGAAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 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-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN TUBB1 2230/4885KMT2A 2923/4885KDM4E 741/4885
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase BTK, SYK, LYN TUBB1 2084/4885KMT2A 3313/4885KDM4E 775/4885

“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.