SCHEMBL2903701

SCHEMBL2903701

Cc1c(CCO)cc(N)cc1CCO

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TKT P29401 5/20 0.33
PRKCI P41743 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL9791488 0.89 KDM4E (0.42) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL11203674 0.87 TSHR (0.38) ALDH1A1TSHRKDM4ETKTPRKCI
SCHEMBL5160277 0.80 ALDH1A1 (0.36) ALDH1A1TSHRKDM4ETDP1
SCHEMBL62547 0.78 TDP1 (0.39) ALDH1A1TSHRKDM4ETDP1
SCHEMBL31265082 0.77 HTT (0.44) ALDH1A1KDM4EPRKCIACHE
SCHEMBL3650407 0.76 TAAR1 (0.48) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL31265116 0.76 POLB (0.34) PRKCIACHE
SCHEMBL31265115 0.73 TYR (0.39) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL13275538 0.73
SCHEMBL11436471 0.72 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2211657-A2 AIR OXIDATION HAIR DYE APPLICATION SYSTEM AND METHOD FOR COLORING HAIR USING THE SAME Combe International Ltd. (US) 2010-08-04 EP disclosed
WO-2009058700-A2 AIR OXIDATION HAIR DYE APPLICATION SYSTEM AND METHOD FOR COLORING HAIR USING THE SAME COMBE INTERNATIONAL LTD. (US) 2009-05-07 WO disclosed
US-6887281-B2 N-heteroarylmethyl-p-phenylenediamine derivatives as well as oxidation dyeing agents containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-05-03 US disclosed
US-20050015898-A1 N-heteroarylmethyl-p-phenylenediamine derivatives as well as oxidation dyeing agents containing these compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2005-01-27 US 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 (1 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-20050015898-A1 N-heteroarylmethyl-p-phenylenediamine derivatives as well as oxidation dyeing agents containing these compounds TYR, PNMT, DDT ALDH1A1 66/4885TSHR 3830/4885KDM4E 4092/4885

“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.