SCHEMBL6535758

SCHEMBL6535758

Cc1cc(OC(C)c2cc(N)ccc2N)ccc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 4/20 0.37
CYP3A4 P08684 3/20 0.37
TSHR P16473 3/20 0.37
CASP1 P29466 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.35
IGLV6-57 P01721 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CARM1 Q86X55 1/20 0.32
TEAD4 Q15561 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL3970430 0.88 PDE10A (0.42) ALDH1A1TDP1CYP3A4TSHRCASP1
SCHEMBL6535756 0.86 TDP1 (0.39) ALDH1A1TDP1CYP3A4TSHRCASP1
SCHEMBL6535654 0.82 TDP1 (0.48) ALDH1A1TDP1CYP3A4SMN1; SMN2THRB
SCHEMBL6535648 0.80 POLB (0.43) ALDH1A1TDP1CYP3A4TSHRCASP1
SCHEMBL21693972 0.78 TDP1 (0.41) ALDH1A1TDP1CYP3A4TSHRCASP1
SCHEMBL6535506 0.77 GAA (0.33) ALDH1A1TDP1TSHRTHRBPOLB
SCHEMBL16756041 0.77 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL6535896 0.77 KDM4E (0.45) ALDH1A1TSHRSMN1; SMN2LMNAGAA
SCHEMBL21694014 0.74 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRCASP1
SCHEMBL24869826 0.74 CYP3A4 (0.43) ALDH1A1TDP1CYP3A4TSHRSMN1; SMN2

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 ALDH1A1 10/4885TDP1 1998/4885CYP3A4 381/4885

“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.