SCHEMBL6064517

SCHEMBL6064517

COC(=O)/C(Cl)=C/c1ccc(OC)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
GSK3B P49841 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
F3 P13726 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL27173981 0.84 THRB (0.53) ALDH1A1MAPTKDM4EHPGDGSK3B
SCHEMBL5707178 0.81 RAB9A (0.53) ALDH1A1MAPTNFKB1NPSR1KMT2A
SCHEMBL10625694 0.81 RAB9A (0.53) ALDH1A1MAPTNFKB1NPSR1KMT2A
SCHEMBL9486859 0.81 RAB9A (0.53) ALDH1A1MAPTNFKB1NPSR1KMT2A
SCHEMBL77601 0.81 MAPT (0.53) ALDH1A1MAPTKDM4EHPGDGSK3B
SCHEMBL18704227 0.80 ABCG2 (0.56) ALDH1A1MAPTKDM4EHPGDGSK3B
SCHEMBL9568614 0.80 ABCG2 (0.56) ALDH1A1MAPTKDM4EHPGDGSK3B
SCHEMBL3896956 0.80 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EHPGDGSK3B
SCHEMBL29172565 0.80 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EHPGDGSK3B
SCHEMBL6907443 0.79 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHPGDKMT2A

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-7084281-B2 Synthesis of dihalohydrins and tri- and tetra-substituted olefins BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-08-01 US disclosed
US-20040143125-A1 Synthesis of dihalohydrins and tri- and tetra-substituted olefins BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2004-07-22 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-20040143125-A1 Synthesis of dihalohydrins and tri- and tetra-substituted olefins TALDO1, HDHD5, TKT ALDH1A1 374/4885MAPT 3213/4885KDM4E 3377/4885

“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.