SCHEMBL6410362

SCHEMBL6410362

COC(=O)c1cc(OC)cc(Cl)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
POLB P06746 3/20 0.49
KDM4E B2RXH2 6/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 2/20 0.45
CYP3A4 P08684 1/20 0.45
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MCL1 Q07820 1/20 0.42
ABL1 P00519 1/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41

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
SCHEMBL4623711 0.84 CYP3A4 (0.49) POLBKDM4EHPGDCYP3A4NPC1
SCHEMBL30169768 0.84 CYP3A4 (0.49) POLBKDM4EHPGDCYP3A4NPC1
SCHEMBL4509845 0.81 CA12 (0.52) GAAPOLBKDM4ECYP3A4ABL1
SCHEMBL423691 0.81 AKR1C4 (0.60) GAAKDM4ECYP3A4ABL1ALDH1A1
SCHEMBL5241500 0.80 GAA (0.50) GAAPOLBKDM4ECYP1A2CYP2D6
SCHEMBL4121477 0.79 AKR1C2 (0.40) POLBKDM4ECYP3A4NPC1MAPT
SCHEMBL1734942 0.79 KDM4E (0.51) GAAPOLBKDM4ECYP1A2CYP2D6
SCHEMBL13980443 0.79 GAA (0.49) GAAPOLBKDM4ECYP1A2CYP2D6
SCHEMBL3489830 0.79 GAA (0.42) GAAPOLBKDM4EHPGDABL1
SCHEMBL8773808 0.79 GAA (0.42) GAAPOLBKDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112573999-B Preparation method of 3-chlorogentitol 中国海洋大学 2022-09-02 CN claimed
CN-112573999-B Preparation method of 3-chlorogentitol 中国海洋大学 2022-09-02 CN disclosed
CN-112573999-A Preparation method of 3-chlorogentitol 中国海洋大学 2021-03-30 CN disclosed
US-6949551-B2 Dihalopropene compounds, processes for their preparation, compositions comprising them and their use as pesticides BAYER CROPSCIENCE S.A. (FR) 2005-09-27 US disclosed
US-20040029886-A1 Dihalopropene compounds, processes for their preparation, compositions comprising them and their use as pesticides MERIAL, INC. 2004-02-12 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-20040029886-A1 Dihalopropene compounds, processes for their preparation, compositions comprising them and their use as pesticides DDT, CBR1, CBR3 GAA 4878/4885POLB 2572/4885KDM4E 2997/4885

“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.