SCHEMBL14764387

SCHEMBL14764387

[O]c1cc(CC(=O)O)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.70
TSHR P16473 4/20 0.70
KDM4E B2RXH2 4/20 0.70
HPGD P15428 4/20 0.70
HSD17B10 Q99714 4/20 0.70
MAPT P10636 3/20 0.70
NFKB1 P19838 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
LMNA P02545 2/20 0.70
RGS12 O14924 1/20 0.70
POLB P06746 1/20 0.70
APEX1 P27695 1/20 0.70
THPO P40225 1/20 0.70
BLM P54132 1/20 0.70
GNAI1 P63096 1/20 0.70
PMP22 Q01453 1/20 0.70
HIF1A Q16665 1/20 0.70
CA2 P00918 2/20 0.63
ALDH1A1 P00352 4/20 0.58
CAMK2A Q9UQM7 1/20 0.54

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
3,4-Dihydroxyphenylacetic Acid SCHEMBL36348 0.83 GAA (1.00) GAATSHRKDM4EHPGDHSD17B10
3,4-Dihydroxyphenylacetic Acid SCHEMBL29382155 0.83 GAA (1.00) GAATSHRKDM4EHPGDHSD17B10
3,4-Dihydroxyphenylacetic Acid SCHEMBL8214147 0.81 GAA (0.96) GAATSHRKDM4EHPGDHSD17B10
SCHEMBL2050404 0.81 GAA (0.73) GAATSHRKDM4EHPGDHSD17B10
3,4-Dihydroxyphenylacetic Acid SCHEMBL8214151 0.81 GAA (0.96) GAATSHRKDM4EHPGDHSD17B10
SCHEMBL10825727 0.79 GAA (0.70) GAATSHRKDM4EHPGDHSD17B10
SCHEMBL156006 0.78 GAA (0.68) GAATSHRKDM4EHPGDHSD17B10
SCHEMBL134713 0.78 GAA (0.68) GAATSHRKDM4EHPGDHSD17B10
SCHEMBL377506 0.78 CA2 (1.00) GAATSHRKDM4EHPGDHSD17B10
SCHEMBL30716576 0.78 HPGD (0.68) GAATSHRKDM4EHPGDHSD17B10

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 4840/4885KDM4E 99/4885
US-20160347782-A1 4-methylcatechol Derivatives and Uses Thereof ST3GAL3, GALE, DPP4 GAA 330/4885TSHR 4840/4885KDM4E 99/4885

“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.