SCHEMBL14764237

SCHEMBL14764237

CCOc1ccc(CC(=O)O)cc1[O]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.55
RXRB P28702 2/20 0.55
RXRG P48443 2/20 0.55
GAA P10253 3/20 0.53
ALDH1A1 P00352 4/20 0.49
TSHR P16473 4/20 0.49
NFKB1 P19838 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
THRB P10828 1/20 0.49
CA5A P35218 1/20 0.47
MAPT P10636 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS1 P23219 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 3/20 0.44

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
SCHEMBL14764208 0.87 ALDH1A1 (0.53) RXRARXRBRXRGGAAALDH1A1
SCHEMBL1883666 0.86 ALDH1A1 (0.58) RXRARXRBRXRGGAAALDH1A1
Hydrochloric Acid SCHEMBL2525777 0.85 ALDH1A1 (0.57) RXRARXRBRXRGGAAALDH1A1
Bromide SCHEMBL10998875 0.85 ALDH1A1 (0.57) RXRARXRBRXRGGAAALDH1A1
SCHEMBL6036311 0.83 GAA (0.71) RXRARXRBRXRGGAAALDH1A1
SCHEMBL14764117 0.83 GAA (0.70) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL3527450 0.82 CA5A (0.64) RXRARXRBRXRGGAAALDH1A1
SCHEMBL3327028 0.82 GAA (0.64) RXRARXRBRXRGGAAALDH1A1
SCHEMBL17061234 0.82 THRB (0.64) RXRARXRBRXRGGAAALDH1A1
SCHEMBL10899796 0.82 CA2 (0.56) RXRARXRBRXRGGAAALDH1A1

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 RXRA 2828/4885RXRB 2700/4885RXRG 1985/4885
US-20160347782-A1 4-methylcatechol Derivatives and Uses Thereof ST3GAL3, GALE, DPP4 RXRA 2828/4885RXRB 2700/4885RXRG 1985/4885

“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.