SCHEMBL6535896

SCHEMBL6535896

CC(Oc1ccc2c(c1)OCCO2)c1cc(N)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 2/20 0.38
MAOB P27338 6/20 0.38
MAOA P21397 4/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL3965393 0.87 KDM4E (0.43) KDM4EGAAMAPTALDH1A1MAPK1
SCHEMBL6535756 0.79 TDP1 (0.39) GAAMAPTALDH1A1MAPK1TSHR
SCHEMBL6535758 0.77 ALDH1A1 (0.37) GAAMAPTALDH1A1TSHRNPC1
SCHEMBL6535654 0.75 TDP1 (0.48) KDM4EGAAMAPTALDH1A1MAPK1
SCHEMBL6535648 0.73 POLB (0.43) KDM4EMAPTALDH1A1TSHRMAOB
SCHEMBL6535506 0.70 GAA (0.33) GAAALDH1A1TSHRNPC1
SCHEMBL159592 0.70 MAPT (0.83) KDM4EGAAMAPTALDH1A1MAPK1
SCHEMBL30197402 0.70 MAPT (0.83) KDM4EGAAMAPTALDH1A1MAPK1
SCHEMBL1131997 0.68 MAPT (0.80) KDM4EGAAMAPTALDH1A1MAPK1
Hydrochloric Acid SCHEMBL2475806 0.68 MAPT (0.88) KDM4EGAAMAPTALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359887-A4 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2004-08-18 EP disclosed
US-6673932-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY 2004-01-06 US disclosed
EP-1359887-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-Clairol, Inc. (US) 2003-11-12 EP disclosed
US-20030131422-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2003-07-17 US disclosed
WO-2002058658-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G - CLAIROL, INC. (US) 2002-08-01 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 (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-20030131422-A1 Primary intermediates for oxidative coloration of hair CYC1, MT-CO1, COX5A KDM4E 3202/4885GAA 4653/4885MAPT 4255/4885

“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.