SCHEMBL2587878

SCHEMBL2587878

O=Cc1cccc(-c2cccc(C(=O)O)c2)c1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.79
TRIM24 O15164 1/20 0.77
TRIM33 Q9UPN9 1/20 0.77
KMO O15229 2/20 0.63
ERN1 O75460 5/20 0.61
RXRA P19793 2/20 0.56
RXRB P28702 2/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
KEAP1 Q14145 1/20 0.49
TTR P02766 1/20 0.49

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
SCHEMBL29952036 1.00 UNG (0.79) UNGTRIM24TRIM33KMOERN1
SCHEMBL7793670 0.91 TRIM24 (0.75) UNGTRIM24TRIM33KMOERN1
3-Formylbenzoic Acid SCHEMBL29514486 0.88 UNG (1.00) UNGTRIM24TRIM33KMOERN1
3-Formylbenzoic Acid SCHEMBL266698 0.88 UNG (1.00) UNGTRIM24TRIM33KMOERN1
SCHEMBL12212910 0.87 TRIM24 (0.70) UNGTRIM24TRIM33KMOERN1
SCHEMBL29955830 0.87 TRIM24 (0.70) UNGTRIM24TRIM33KMOERN1
SCHEMBL711947 0.87 TRIM24 (0.70) UNGTRIM24TRIM33KMOERN1
SCHEMBL12152644 0.87 TRIM24 (1.00) UNGTRIM24TRIM33KMOERN1
3-Formylbenzoic Acid SCHEMBL2278527 0.86 UNG (0.96) UNGTRIM24TRIM33KMOERN1
3-Formylbenzoic Acid SCHEMBL27872652 0.86 UNG (0.96) UNGTRIM24TRIM33KMOERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022261257-A1 STAPLED PEPTIDES AND METHODS THEREOF FOG PHARMACEUTICALS, INC. (US) 2022-12-15 WO disclosed
EP-3885437-A1 DNA-ENCODED CHEMICAL LIBRARY, USE THEREOF, AND METHOD TO SYNTHESIZE THE LIBRARY Technische Universität Dortmund (DE) 2021-09-29 EP disclosed
US-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2021-07-29 US disclosed
US-10287230-B2 Selective aerobic oxidation of dimethylbiphenyls EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2019-05-14 US disclosed
US-20180179141-A1 SELECTIVE AEROBIC OXIDATION OF DIMETHYLBIPHENYLS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2018-06-28 US disclosed
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-05-17 US disclosed
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 WO disclosed
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 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 (4 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-20180179141-A1 SELECTIVE AEROBIC OXIDATION OF DIMETHYLBIPHENYLS CYP1B1, MSMO1, CYP1A1 UNG 2594/4885TRIM24 951/4885TRIM33 1353/4885
US-10287230-B2 Selective aerobic oxidation of dimethylbiphenyls CYP1B1, MSMO1, CYP1A1 UNG 2594/4885TRIM24 951/4885TRIM33 1353/4885
US-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 UNG 397/4885TRIM24 1648/4885TRIM33 3303/4885
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 UNG 397/4885TRIM24 1648/4885TRIM33 3303/4885

“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.