SCHEMBL7788686

SCHEMBL7788686

COc1c(Cl)cc(Cl)c(O)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.52
TSHR P16473 4/20 0.52
HPGD P15428 4/20 0.52
MAPK1 P28482 2/20 0.52
TPMT P51580 1/20 0.44
CASP1 P29466 1/20 0.44
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 3/20 0.40
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RECQL P46063 2/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
THRB P10828 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL9331998 0.83 TPMT (0.48) HSD17B10TSHRHPGDMAPK1TPMT
SCHEMBL21614387 0.83 ALDH1A1 (0.42) HSD17B10TSHRHPGDTPMTCASP1
SCHEMBL23972597 0.83 HSD17B10 (0.43) HSD17B10TSHRHPGDMAPK1TPMT
SCHEMBL9331965 0.82 HPGD (0.56) HSD17B10TSHRHPGDMAPK1TPMT
SCHEMBL9331976 0.82 HSD17B10 (0.52) HSD17B10TSHRHPGDMAPK1TPMT
SCHEMBL31213023 0.82 HSD17B10 (0.52) HSD17B10TSHRHPGDMAPK1TPMT
SCHEMBL21614379 0.80 TPMT (0.43) HSD17B10TSHRHPGDMAPK1TPMT
SCHEMBL14811454 0.78 TPMT (0.42) HSD17B10TSHRHPGDMAPK1TPMT
SCHEMBL9938269 0.78 TPMT (0.42) HSD17B10TSHRHPGDMAPK1TPMT
SCHEMBL481060 0.78 CYP3A4 (0.50) HSD17B10TSHRHPGDMAPK1TPMT

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
US-20210337789-A1 Derivatives of m-Guaiacol, Their Preparation and Their Uses UNIVERSITE DE CAEN NORMANDIE (FR) 2021-11-04 US disclosed
WO-2020007882-A1 M-GUAIACOL DERIVATIVES, PREPARATION THEREOF, AND USES THEREOF UNIVERSITE DE CAEN NORMANDIE (FR) 2020-01-09 WO disclosed
EP-0850246-B1 PYRIMIDINE NUCLEOSIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2001-11-14 EP disclosed
EP-0850246-A2 PYRIMIDINE NUCLEOSIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-07-01 EP disclosed
US-5705492-A ESTERIFICATION OF PYRIMIDINE NUCLEOSIDE HOFFMANN-LA ROCHE INC. (US) 1998-01-06 US disclosed
WO-1997003082-A2 PYRIMIDINE NUCLEOSIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-01-30 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 (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-20210337789-A1 Derivatives of m-Guaiacol, Their Preparation and Their Uses MPG, MGLL, GANC HSD17B10 1613/4885TSHR 4544/4885HPGD 1574/4885

“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.