SCHEMBL2543218

SCHEMBL2543218

CCOC(=O)C1(O)C=CC(O)=CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
OPRM1 P35372 6/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA7 P43166 3/20 0.32
CA9 Q16790 3/20 0.32
CA14 Q9ULX7 3/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 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
SCHEMBL7920956 0.79 POLB (0.33) POLBOPRM1SMN1; SMN2OPRD1OPRK1
SCHEMBL3623072 0.77 OPRM1 (0.40) OPRM1SMN1; SMN2OPRD1OPRK1SLC22A1
SCHEMBL700823 0.73 GRM4 (0.31)
SCHEMBL1701987 0.73 MAPT (0.39) POLBOPRM1SMN1; SMN2OPRD1OPRK1
SCHEMBL28872247 0.71 CACNA1F (0.39) OPRM1SMN1; SMN2OPRD1MEN1KMT2A
SCHEMBL10442548 0.70 TSHR (0.35) OPRM1SMN1; SMN2OPRD1OPRK1SLC22A1
SCHEMBL9490217 0.69 PIN1 (0.31) MEN1KMT2ACA12CA1CA2
SCHEMBL10393568 0.67 BRD4 (0.45) POLBOPRM1SMN1; SMN2OPRD1OPRK1
SCHEMBL3775595 0.67 POLB (0.36) POLBOPRM1SMN1; SMN2OPRD1OPRK1
SCHEMBL4921470 0.66

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-8044098-B2 Use of e.g. 2,4-dihydroxybenzoic acid or 3,4,5-trihydroxybenzoic acid or esters thereof; hepatitis B virus (HBV), papillomavirus and/or herpes virus SHENGHUA GUANGZHOU PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2011-10-25 US disclosed
EP-1930002-A1 USE OF HYDROXYBENZOIC ACID ESTER AND ANALOGUES FOR THE MANUFACTURE OF A MENDICAMENT FOR THE PREVENTION AND TREATMENT OF VIRUS INFECTION SHENGHUA (GUANGZHOU) PHARMACEUTICAL SCIENCE & (CN) 2008-06-11 EP disclosed
US-20080119550-A1 Use of e.g. 2,4-dihydroxybenzoic acid or 3,4,5-trihydroxybenzoic acid or esters thereof; hepatitis B virus (HBV), papillomavirus and/or herpes virus SHENGHUA GUANGZHOU PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2008-05-22 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-20080119550-A1 Use of e.g. 2,4-dihydroxybenzoic acid or 3,4,5-trihydroxybenzoic acid or esters thereof; hepatitis B virus (HBV), papillomavirus and/or herpes virus ETV1, ETV6, CYP8B1 POLB 300/4885OPRM1 4672/4885SMN1; SMN2 4858/4885

“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.