SCHEMBL6098184

SCHEMBL6098184

O=C(CCCCCCCCCCOc1ccccc1)OC(=O)COc1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ MAPT P10636 6/20 0.52
▸ HPGD P15428 2/20 0.51
▸ TSHR P16473 1/20 0.48
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ GAA P10253 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45

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
2,4-Dichlorophenoxyacetic Acid SCHEMBL6098182 0.87 TDP1 (0.68) TDP1ALDH1A1L3MBTL1MAPTHPGD
Rac-Dichlorprop SCHEMBL8138132 0.80 HTT (0.56) TDP1ALDH1A1L3MBTL1MAPTHPGD
SCHEMBL27410860 0.80 TDP1 (0.62) TDP1ALDH1A1L3MBTL1MAPTHPGD
SCHEMBL27374553 0.80 TDP1 (0.82) TDP1ALDH1A1L3MBTL1MAPTHPGD
SCHEMBL27374545 0.80 TDP1 (0.82) TDP1ALDH1A1L3MBTL1MAPTHPGD
SCHEMBL11617521 0.79 HDAC1 (0.65) TDP1L3MBTL1
SCHEMBL11577655 0.79 HDAC1 (0.65) TDP1L3MBTL1
SCHEMBL9445865 0.79 MAPT (0.64) TDP1ALDH1A1L3MBTL1MAPTHPGD
SCHEMBL1496077 0.79 TDP1 (0.65) TDP1ALDH1A1L3MBTL1MAPTHPGD
SCHEMBL27374551 0.78 TDP1 (0.84) TDP1ALDH1A1L3MBTL1MAPTHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7002020-B1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PHARMACIA & UPJOHN COMPANY (US) 2006-02-21 — — US disclosed
US-20050004174-A1 Antibacterial agents GORDEEV MIKHAIL F (US) 2005-01-06 — — US disclosed
US-6562844-B2 Attaching an olefin to a solid support; oxidizing the olefin to provide an epoxide functionality; opening the epoxide with an amine to form an amino alcohol; cyclizing the amino alcohol using a phosgene equivalent PHARMACIA & UPJOHN COMPANY 2003-05-13 — — US disclosed
US-6531470-B1 Antimicrobial compounds PHARMACIA & UPJOHN COMPANY 2003-03-11 — — US disclosed
US-6239152-B1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PHARMACIA & UPJOHN COMPANY 2001-05-29 — — 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-20050004174-A1 Antibacterial agents PAICS, OXA1L, PNKP TDP1 1990/4885ALDH1A1 1632/4885L3MBTL1 2057/4885

“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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