SCHEMBL3949779

SCHEMBL3949779

O=C(O)[C](C(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.58
CES2 O00748 4/20 0.58
TSHR P16473 3/20 0.58
ALDH1A1 P00352 2/20 0.58
DAO P14920 1/20 0.58
NAPRT Q6XQN6 1/20 0.58
TDP1 Q9NUW8 4/20 0.52
CA2 P00918 3/20 0.52
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA9 Q16790 3/20 0.52
CYP3A4 P08684 2/20 0.52
MAPT P10636 2/20 0.52
CA4 P22748 2/20 0.52
HSD17B10 Q99714 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 1/20 0.52
PARP1 P09874 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL27291538 0.84 TDP1 (0.56) CES1CES2TSHRALDH1A1DAO
Benzoyl Formic Acid SCHEMBL31113414 0.79 CES2 (0.72) CES1CES2TSHRALDH1A1DAO
SCHEMBL10375317 0.79 CES2 (0.72) CES1CES2TSHRALDH1A1DAO
Benzophenone SCHEMBL4382632 0.78 ALDH1A1 (0.93) CES1CES2TSHRALDH1A1DAO
Benzoic Acid SCHEMBL1052340 0.78 TSHR (0.93) CES1CES2TSHRALDH1A1DAO
Benzoic Acid SCHEMBL29215589 0.78 TSHR (0.93) CES1CES2TSHRALDH1A1DAO
Benzil SCHEMBL5962228 0.78 CES2 (0.93) CES1CES2TSHRALDH1A1DAO
Benzoic Acid SCHEMBL29076240 0.78 TSHR (0.93) CES1CES2TSHRALDH1A1DAO
SCHEMBL2905276 0.77 TDP1 (0.62) CES1CES2TSHRALDH1A1DAO
SCHEMBL1683825 0.77 CES1 (0.64) CES1CES2TSHRALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090026415-A1 Process to Produce an Enriched Composition EASTMAN CHEMICAL COMPANY (US) 2009-01-29 US claimed
EP-3134402-B1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2020-05-06 EP disclosed
EP-2066612-B1 A PROCESS TO PRODUCE AN ENRICHMENT FEED GRUPO PETROTEMEX SA DE CV (MX) 2018-08-01 EP disclosed
EP-3134402-A1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2017-03-01 EP disclosed
US-9447097-B2 4-amino-imidazoquinoline compounds HOFFMANN-LA ROCHE INC. (US) 2016-09-20 US disclosed
US-20160222010-A1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-08-04 US disclosed
US-9334268-B2 4-amino-imidazoquinoline compounds HOFFMAN-LA ROCHE INC. (US) 2016-05-10 US disclosed
WO-2015162075-A1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-29 WO disclosed
US-20150299194-A1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-22 US disclosed
EP-1890809-A4 HYDROTREATING POLYESTER PRECURSORS EASTMAN CHEM CO (US) 2009-07-08 EP disclosed
EP-1890809-A2 HYDROTREATING POLYESTER PRECURSORS EASTMAN CHEMICAL COMPANY (US) 2008-02-27 EP disclosed
WO-2006138030-A2 HYDROTREATING POLYESTER PRECURSORS EASTMAN CHEMICAL COMPANY (US) 2006-12-28 WO disclosed
US-7067615-B1 Hydrotreating polyester precursors EASTMAN CHEMICAL COMPANY (US) 2006-06-27 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 (2 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-20160222010-A1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS TLR4, TLR1, TLR5 CES1 3953/4885CES2 3611/4885TSHR 1049/4885
US-20150299194-A1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS TLR4, TLR1, TLR5 CES1 3953/4885CES2 3611/4885TSHR 1049/4885

“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.