SCHEMBL103415

SCHEMBL103415

O=[C]c1cccc(C(=O)Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
GSK3B P49841 2/20 0.41
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARP1 P09874 2/20 0.35
P4HB P07237 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA6 P23280 1/20 0.33
CA9 Q16790 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
GRM5 P41594 2/20 0.33
FBP1 P09467 1/20 0.33
S1PR2 O95136 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 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
SCHEMBL40532 0.82 GSK3B (0.61) ALDH1A1TSHRGSK3BP4HBGRM5
SCHEMBL31575813 0.82 GSK3B (0.61) ALDH1A1TSHRGSK3BP4HBGRM5
SCHEMBL1636076 0.82 ALDH1A1 (0.46) ALDH1A1TSHRGSK3BTDP1CA12
SCHEMBL10412423 0.82 ALDH1A1 (0.46) ALDH1A1TSHRGSK3BATMTDP1
SCHEMBL5664511 0.81 GSK3B (0.42) ALDH1A1GSK3BATMTDP1L3MBTL1
SCHEMBL536823 0.81 CA12 (0.54) TSHRCA12CA1CA2CA6
SCHEMBL28979629 0.80 PTPN11 (0.49) ALDH1A1TSHRATMTDP1L3MBTL1
SCHEMBL27510 0.79 ALDH1A1 (0.59) ALDH1A1TSHRATMTDP1L3MBTL1
SCHEMBL5389398 0.79 MEN1 (0.50) ALDH1A1TDP1MAPTHTT
SCHEMBL7136929 0.79 PARP1 (0.55) TSHRGSK3BTDP1L3MBTL1PARP1

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
EP-2426102-A1 PROCESS FOR PRODUCING PHTHALIC ACID COMPOUND INCLUDING CHLORINATED AROMATIC RING Sumitomo Chemical Company, Limited (JP) 2012-03-07 EP disclosed
US-20120035395-A1 PROCESS FOR PRODUCING PHTHALIC ACID COMPOUND INCLUDING CHLORINATED AROMATIC RING SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-09 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-20120035395-A1 PROCESS FOR PRODUCING PHTHALIC ACID COMPOUND INCLUDING CHLORINATED AROMATIC RING NISCH, DDT, CUL1 ALDH1A1 2049/4885TSHR 82/4885GSK3B 4841/4885

“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.