SCHEMBL14764104

SCHEMBL14764104

COc1cc(CC(=O)O)ccc1[O]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.70
TSHR P16473 2/20 0.70
NFKB1 P19838 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
ALDH1A1 P00352 2/20 0.70
CA5A P35218 1/20 0.60
PTGS1 P23219 1/20 0.56
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
SELL P14151 1/20 0.50
SELP P16109 1/20 0.50
HSD17B10 Q99714 3/20 0.47
LDHA P00338 1/20 0.47
KDM4E B2RXH2 4/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 2/20 0.47
RGS12 O14924 1/20 0.47

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
SCHEMBL21328360 0.86 GAA (0.70) GAATSHRNFKB1TDP1ALDH1A1
SCHEMBL14764117 0.86 GAA (0.70) GAATSHRNFKB1TDP1ALDH1A1
SCHEMBL30049382 0.85 GAA (0.74) GAATSHRNFKB1TDP1ALDH1A1
SCHEMBL153055 0.85 GAA (0.74) GAATSHRNFKB1TDP1ALDH1A1
Hydrochloric Acid SCHEMBL2530820 0.84 GAA (0.72) GAATSHRNFKB1TDP1ALDH1A1
SCHEMBL27952523 0.84 GAA (0.72) GAATSHRNFKB1TDP1ALDH1A1
SCHEMBL21328347 0.83 CA5A (0.66) GAATSHRNFKB1TDP1ALDH1A1
SCHEMBL14764208 0.83 ALDH1A1 (0.53) GAATSHRNFKB1TDP1ALDH1A1
SCHEMBL21328344 0.82 GAA (0.70) GAATSHRNFKB1TDP1ALDH1A1
Homovanillic Acid SCHEMBL30337229 0.82 GAA (1.00) GAATSHRNFKB1TDP1ALDH1A1

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-20190085007-A1 4-methylcatechol Derivatives and Uses Thereof Thanares GmbH (DE) 2019-03-21 US claimed
US-20160347782-A1 4-methylcatechol Derivatives and Uses Thereof Thanares GmbH (DE) 2016-12-01 US claimed
WO-2013034119-A1 4-METHYLCATECHOL DERIVATIVES UND USE THEREOF Thanares GmbH (DE) 2013-03-14 WO claimed
US-20190085007-A1 4-methylcatechol Derivatives and Uses Thereof Thanares GmbH (DE) 2019-03-21 US disclosed
US-20160347782-A1 4-methylcatechol Derivatives and Uses Thereof Thanares GmbH (DE) 2016-12-01 US disclosed
WO-2013034119-A1 4-METHYLCATECHOL DERIVATIVES UND USE THEREOF Thanares GmbH (DE) 2013-03-14 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 (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-20190085007-A1 4-methylcatechol Derivatives and Uses Thereof ST3GAL3, GALE, DPP4 GAA 330/4885TSHR 4840/4885NFKB1 2505/4885
US-20160347782-A1 4-methylcatechol Derivatives and Uses Thereof ST3GAL3, GALE, DPP4 GAA 330/4885TSHR 4840/4885NFKB1 2505/4885

“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.