SCHEMBL6535648

SCHEMBL6535648

CC(Oc1ccccc1)c1cc(N)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.39
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
CYP3A4 P08684 5/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NLRP3 Q96P20 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 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
SCHEMBL6535756 0.89 TDP1 (0.39) POLBCYP3A4ALDH1A1MEN1NPC1
SCHEMBL11510925 0.86 POLB (0.43) POLBKDM4EMAOBMAOAADRA2A
SCHEMBL6535654 0.85 TDP1 (0.48) KDM4EMAOBMAOACYP3A4TP53
SCHEMBL3968067 0.83 CYP3A4 (0.42) POLBKDM4EMAOBMAOAADRA2A
SCHEMBL11311588 0.82 POLB (0.47) POLBKDM4EMAOBMAOAADRA2A
SCHEMBL6535617 0.82 CHRNB2 (0.39) POLBALDH1A1MEN1TDP1LMNA
SCHEMBL6535758 0.80 ALDH1A1 (0.37) POLBCYP3A4ALDH1A1NPC1RAB9A
SCHEMBL6535506 0.80 GAA (0.33) POLBALDH1A1MEN1NPC1KMT2A
SCHEMBL3654298 0.76 CASP1 (0.37) POLBKDM4ECYP3A4TP53ALDH1A1
Benzene SCHEMBL27545048 0.75 ANPEP (0.41) POLBMAOACYP3A4TP53ALDH1A1

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 POLB 378/4885KDM4E 3202/4885MAOB 340/4885

“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.