SCHEMBL6667331

SCHEMBL6667331

COc1cccc(Br)c1C1OCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABCB1 P08183 1/20 0.35
ALOX5 P09917 1/20 0.34
PTPN1 P18031 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
HTR2A P28223 1/20 0.34
HTR1A P08908 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL30292812 1.00 CA12 (0.35) CA12CA1CA2CA4CA7
SCHEMBL26982160 0.81 AHR (0.31)
SCHEMBL26132679 0.80 NPC1 (0.45) ABCB1HTR1AGAAMAPTHPGD
SCHEMBL30378734 0.80
SCHEMBL26132676 0.80
SCHEMBL19729164 0.80 L3MBTL1 (0.42) ACHEPTPN1HTR2AGAAKMT2A
SCHEMBL31562652 0.79 NPC1 (0.44) ABCB1HTR1AGAAMAPTHPGD
SCHEMBL30378277 0.79 TDP1 (0.49) HTR2AHTR1AGAAMAPTHPGD
SCHEMBL26132406 0.79 TDP1 (0.49) HTR2AHTR1AGAAMAPTHPGD
SCHEMBL9618610 0.77 NPC1 (0.35) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115500357-B Photosensitive bactericide based on berberine derivative 深圳市儿童医院 2024-03-26 CN disclosed
CN-115500357-A Photosensitive bactericide based on berberine derivative 深圳市儿童医院 2022-12-23 CN disclosed
EP-1412327-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG Biomedical Institute (US) 2004-04-28 EP disclosed
US-20030208067-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-11-06 US disclosed
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-10-02 US disclosed
WO-2002096867-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG BIOMEDICAL INSTITUTE (US) 2002-12-05 WO 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-20030208067-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 CA12 4661/4885CA1 4632/4885CA2 2156/4885
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 CA12 4661/4885CA1 4632/4885CA2 2156/4885

“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.