SCHEMBL6535506

SCHEMBL6535506

CC(Oc1ccc(CCl)cc1)c1cc(N)ccc1N

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
FFAR1 O14842 1/20 0.31
CYP19A1 P11511 1/20 0.31
THRB P10828 1/20 0.31
F2 P00734 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CNR2 P34972 1/20 0.31
NPC1 O15118 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
POLB P06746 1/20 0.30

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 0.86 TDP1 (0.39) GAATDP1TSHRMEN1KMT2A
SCHEMBL3968205 0.86 ALOX5 (0.35) GAACYP1A2CYP2D6CYP2C19TDP1
SCHEMBL6535654 0.81 TDP1 (0.48) GAATDP1MEN1KMT2ATHRB
SCHEMBL6535648 0.80 POLB (0.43) CYP1A2CYP2C19TDP1TSHRMEN1
SCHEMBL6535758 0.77 ALDH1A1 (0.37) GAATDP1TSHRTHRBALDH1A1
SCHEMBL6816261 0.73 MAPT (0.40) GAACYP1A2TDP1TSHRMEN1
SCHEMBL6535896 0.70 KDM4E (0.45) GAATSHRALDH1A1NPC1
SCHEMBL3969449 0.70 ALOX5 (0.41) GAACYP2C19TDP1TSHRMEN1
SCHEMBL3654298 0.70 CASP1 (0.37) GAATDP1TSHRMEN1KMT2A
SCHEMBL6535617 0.70 CHRNB2 (0.39) TDP1MEN1ALDH1A1POLB

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 GAA 4653/4885CYP1A2 163/4885CYP2D6 347/4885

“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.