SCHEMBL14764254

SCHEMBL14764254

COc1ccc(CN)cc1[O]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ATM Q13315 1/20 0.48
GAA P10253 1/20 0.46
CA2 P00918 1/20 0.45
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
CSNK2A1 P68400 5/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
APEX1 P27695 1/20 0.43
KMT2A Q03164 1/20 0.43
LOXL2 Q9Y4K0 3/20 0.43
LOX P28300 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
CYP19A1 P11511 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL14764445 0.84 KDM4E (0.48) KDM4EATMGAACA2TSHR
SCHEMBL14764223 0.82 CA2 (0.47) KDM4EATMGAACA2LMNA
SCHEMBL19409880 0.81 ATM (0.70) KDM4EATMGAACA2TSHR
SCHEMBL44393 0.81 ATM (0.70) KDM4EATMGAACA2TSHR
SCHEMBL29535675 0.81 ATM (0.70) KDM4EATMGAACA2TSHR
SCHEMBL14764674 0.81 CSNK2A1 (0.47) KDM4EGAACSNK2A1LMNAMEN1
Hydrochloric Acid SCHEMBL9726669 0.79 ATM (0.68) KDM4EATMCA2CYP1A2CYP3A4
SCHEMBL2278377 0.78 TAAR1 (0.52) KDM4EATMGAACA2TSHR
SCHEMBL1725006 0.78 GAA (0.74) KDM4EATMGAACA2TSHR
SCHEMBL702173 0.78 CRHBP (0.50) KDM4EATMGAACA2TSHR

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 KDM4E 99/4885ATM 4451/4885GAA 330/4885
US-20160347782-A1 4-methylcatechol Derivatives and Uses Thereof ST3GAL3, GALE, DPP4 KDM4E 99/4885ATM 4451/4885GAA 330/4885

“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.