SCHEMBL4626382

SCHEMBL4626382

CC(C)OC(=O)COc1ccc(Cl)cc1Cc1cc(Cl)ccc1OCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.60
▸ TDP1 Q9NUW8 3/20 0.56
▸ TSHR P16473 1/20 0.56
▸ PTGDR2 Q9Y5Y4 8/20 0.55
▸ PTGDR Q13258 3/20 0.55
▸ ESR1 P03372 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ PTGER1 P34995 1/20 0.46

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
SCHEMBL4628496 0.86 MAPT (0.79) MAPTTDP1TSHRPTGDR2PTGDR
SCHEMBL4626978 0.85 MAPT (0.65) MAPTTDP1TSHRPTGDR2PTGDR
SCHEMBL4626761 0.85 MAPT (0.58) MAPTTDP1TSHRPTGDR2PTGDR
SCHEMBL4626845 0.83 MAPT (0.62) MAPTTDP1TSHRPTGDR2PTGDR
SCHEMBL158457 0.81 MAPT (0.67) MAPTTDP1TSHRESR1POLB
SCHEMBL29860787 0.81 MAPT (0.67) MAPTTDP1TSHRESR1POLB
SCHEMBL4626233 0.80 MAPT (0.68) MAPTTDP1TSHRPTGDR2PTGDR
Ammonia Solution, Strong SCHEMBL29010268 0.80 MAPT (0.65) MAPTTDP1TSHRESR1POLB
SCHEMBL4887815 0.80 ESR1 (0.72) MAPTTDP1TSHRESR1POLB
SCHEMBL4627361 0.79 PTGDR (0.58) MAPTTDP1TSHRPTGDR2PTGDR

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-20080312322-A1 Organic Compounds NOVARTIS AG (CH) 2008-12-18 — — US claimed
EP-1888505-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-02-20 — — EP claimed
WO-2006125593-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-11-30 — — WO claimed
US-20080312322-A1 Organic Compounds NOVARTIS AG (CH) 2008-12-18 — — US disclosed
EP-1888505-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-02-20 — — EP disclosed
WO-2006125593-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-11-30 — — 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-20080312322-A1 Organic Compounds NR3C2, MRGPRX2, HRH2 MAPT 4232/4885TDP1 4717/4885TSHR 374/4885

“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.

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