SCHEMBL14764223

SCHEMBL14764223

CCc1ccc(OC)c([O])c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
PTGS2 P35354 1/20 0.47
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TUBB1 Q9H4B7 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LDHA P00338 1/20 0.41
ALPL P05186 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL1803075 0.83 PTGS2 (0.52) CA2PTGS2HTTNPSR1TUBB1
SCHEMBL14764254 0.82 KDM4E (0.48) CA2LMNAKMT2AGAAKDM4E
SCHEMBL14764203 0.82 MAPT (0.42) HTTNPSR1LMNASMN1; SMN2GAA
SCHEMBL11950523 0.81 CA2 (0.48) CA2PTGS2HTTNPSR1TUBB1
SCHEMBL31428 0.80 CA2 (0.71) CA2PTGS2HTTLMNAKMT2A
SCHEMBL31275634 0.80 CA2 (0.71) CA2PTGS2HTTLMNAKMT2A
SCHEMBL3691694 0.79 HTR7 (0.58) CA2LMNAKMT2AALDH1A1
SCHEMBL8940769 0.78 HTR7 (0.53) CA2PTGS2HTTTUBB1LMNA
Water SCHEMBL8587595 0.78 CA2 (0.68) CA2PTGS2HTTLMNAKMT2A
Ammonia Solution, Strong SCHEMBL266403 0.78 CA2 (0.68) CA2PTGS2HTTLMNAKMT2A

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 CA2 1669/4885PTGS2 1756/4885HTT 2102/4885
US-20160347782-A1 4-methylcatechol Derivatives and Uses Thereof ST3GAL3, GALE, DPP4 CA2 1669/4885PTGS2 1756/4885HTT 2102/4885

“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.