SCHEMBL14764449

SCHEMBL14764449

CCOc1cc(CN)ccc1[O]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 4/20 0.44
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 3/20 0.39
AOC3 Q16853 2/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CALM1 P0DP23 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL14764674 0.85 CSNK2A1 (0.47) CSNK2A1ALDH1A1MAPTCYP2C19HSD17B10
SCHEMBL14764249 0.85 MAPT (0.42) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL5240461 0.82 CSNK2A1 (0.51) CSNK2A1ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL15966562 0.81 MAPT (0.44) CSNK2A1ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL14764445 0.81 KDM4E (0.48) CSNK2A1ALDH1A1CYP1A2KDM4EAOC3
SCHEMBL11440361 0.79 ALDH1A1 (0.63) CSNK2A1ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL2894087 0.78 KDM4E (0.55) CSNK2A1ALDH1A1MAPTKDM4EMAPK1
SCHEMBL1031519 0.78 ALDH1A1 (0.54) CSNK2A1ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL5708146 0.78 CALM1 (0.61) CSNK2A1MAPTKDM4EMAPK1HTR2A
SCHEMBL6939966 0.78 CSNK2A1 (0.56) CSNK2A1ALDH1A1MAPTPOLBHPGD

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 CSNK2A1 4055/4885ALDH1A1 725/4885MAPT 1067/4885
US-20160347782-A1 4-methylcatechol Derivatives and Uses Thereof ST3GAL3, GALE, DPP4 CSNK2A1 4055/4885ALDH1A1 725/4885MAPT 1067/4885

“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.