SCHEMBL3617879

SCHEMBL3617879

OCc1cc(O)c(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.55
HSD17B10 Q99714 7/20 0.55
HPGD P15428 6/20 0.55
ALOX15 P16050 3/20 0.43
ALOX12 P18054 3/20 0.43
CYP3A4 P08684 4/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CASP1 P29466 2/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
THRB P10828 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
G6PD P11413 1/20 0.36
PABPC1 P11940 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5385953 0.90 TSHR (0.55) TSHRHSD17B10HPGDALOX15ALOX12
SCHEMBL9567411 0.81 HSD17B10 (0.41) TSHRHSD17B10HPGDALOX15ALOX12
SCHEMBL522652 0.81 CBFB (0.36) TSHRHSD17B10HPGDALOX15ALOX12
SCHEMBL14094902 0.79 ALOX15 (0.44) HSD17B10HPGDALOX15ALOX12CYP3A4
SCHEMBL20334625 0.78 TSHR (0.52) TSHRHSD17B10HPGDALOX15ALOX12
SCHEMBL11382470 0.76 HSP90AA1 (0.39) TSHRHSD17B10HPGDCYP3A4ALDH1A1
SCHEMBL24133181 0.75 ALOX15 (0.39) TSHRHSD17B10HPGDALOX15ALOX12
SCHEMBL5881462 0.75 HSD17B10 (0.42) TSHRHSD17B10HPGDALOX15ALOX12
SCHEMBL19194462 0.75 SHBG (0.48) TSHRHSD17B10HPGDALOX15ALOX12
SCHEMBL12401852 0.74 ALOX15 (0.52) TSHRHSD17B10HPGDALOX15ALOX12

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-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP 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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R TSHR 2023/4885HSD17B10 390/4885HPGD 380/4885

“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.