SCHEMBL1982306

SCHEMBL1982306

Nc1ccc(N(CC(O)CN(CCO)CCO)c2ccc(N)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.69
L3MBTL1 Q9Y468 3/20 0.50
TSHR P16473 2/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
P2RX3 P56373 1/20 0.38
GAA P10253 3/20 0.37
ALDH1A1 P00352 6/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
MAPK1 P28482 3/20 0.32
CYP3A4 P08684 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
PSMD14 O00487 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
SCHEMBL109933 0.77 ALDH1A1 (0.44) KDM4EL3MBTL1TSHRMEN1KMT2A
SCHEMBL891571 0.77 KDM4E (0.39) KDM4EL3MBTL1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL5582429 0.76 KDM4E (0.42) KDM4EL3MBTL1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL9725229 0.75 KDM4E (0.41) KDM4EL3MBTL1TSHRMEN1KMT2A
SCHEMBL2974731 0.74 MAPT (0.37) KDM4EL3MBTL1TSHRMEN1KMT2A
SCHEMBL8617028 0.73 KDM4E (0.55) KDM4EL3MBTL1TSHRMEN1KMT2A
SCHEMBL12403375 0.70 KDM4E (0.51) KDM4EL3MBTL1TSHRMEN1KMT2A
SCHEMBL7257009 0.70 L3MBTL1 (0.36) KDM4EL3MBTL1TSHRALDH1A1MAPK1
SCHEMBL28958670 0.69 CYP3A4 (0.54) KDM4EL3MBTL1TSHRMEN1KMT2A
SCHEMBL22354569 0.69 KDM4E (0.73) KDM4EL3MBTL1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10632051-B2 Hair bleaching agent and method for gentle oxidative lightening of hair HENKEL AG & CO. KGAA (DE) 2020-04-28 US disclosed
US-20190175462-A1 HAIR BLEACHING AGENT AND METHOD FOR GENTLE OXIDATIVE LIGHTENING OF HAIR HENKEL AG & CO. KGAA (DE) 2019-06-13 US disclosed
US-10143634-B2 Thickening developer for oxidation dyes HENKEL AG & CO. KGAA (DE) 2018-12-04 US disclosed
US-20170273879-A1 THICKENING DEVELOPER FOR OXIDATION DYES HENKEL AG & CO. KGAA (DE) 2017-09-28 US disclosed
US-20170252280-A1 METHOD FOR SIMULTANEOUSLY AND PERMANENTLY RESHAPING AND COLORING KERATIN FIBERS HENKEL AG & CO. KGAA (DE) 2017-09-07 US disclosed
US-9636288-B2 Means for oxidative dyeing of keratin fibers containing novel tetra-substituted derivatives of pyrimidine HENKEL AG & CO. KGAA (DE) 2017-05-02 US disclosed
US-20160296447-A1 MEANS FOR OXIDATIVE DYEING OF KERATIN FIBERS CONTAINING NOVEL TETRA-SUBSTITUTED DERIVATIVES OF PYRIMIDINE HENKEL AG & CO. KGAA (DE) 2016-10-13 US disclosed
US-20150315177-A1 SUBSTITUTED QUINONES OR ANALOGUES AS COLOURING AGENTS MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-8790417-B2 Gentle hair color pretreatment with silicone and oily oxidants HENKEL AG & CO. KGAA (DE) 2014-07-29 US disclosed
US-8784507-B2 Post oxidative hair treatment agent with silicone HENKEL AG & CO. KGAA (DE) 2014-07-22 US disclosed
US-20140170223-A1 POST OXIDATIVE HAIR TREATMENT AGENT WITH SILICONE HENKEL AG & CO. KGAA (DE) 2014-06-19 US disclosed
US-20140165300-A1 REDUCTION OF AMMONIA ODOR WHEN COLORING AND/OR LIGHTENING HAIR HENKEL AG & CO. KGAA (DE) 2014-06-19 US disclosed
US-20140165303-A1 GENTLE HAIR COLOR PRETREATMENT WITH SILICONE AND OILY OXIDANTS HENKEL AG & CO. KGAA (DE) 2014-06-19 US disclosed
US-20140166035-A1 TWO PHASE DEVELOPER FOR MEDIUM OXIDATIVE COLOR CHANGE HENKEL AG & CO. KGAA (DE) 2014-06-19 US disclosed
US-8021438-B2 Cationic acylpyridinium derivatives for use as bleach activators HENKEL AG & CO. KGAA (DE) 2011-09-20 US disclosed
US-20110146006-A1 CATIONIC ACYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS HENKEL AG & CO. KGAA (DE) 2011-06-23 US disclosed
US-20100146710-A1 Reductive Decoloration of Keratin-Containing Fibers HENKEL AG & CO. KGAA (DE) 2010-06-17 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 (9 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-10143634-B2 Thickening developer for oxidation dyes CYBA, LPO, ACOX1 KDM4E 2743/4885L3MBTL1 3490/4885TSHR 2121/4885
US-20140165303-A1 GENTLE HAIR COLOR PRETREATMENT WITH SILICONE AND OILY OXIDANTS KRT18, DNMT1, PLOD1 KDM4E 160/4885L3MBTL1 3434/4885TSHR 3166/4885
US-20150315177-A1 SUBSTITUTED QUINONES OR ANALOGUES AS COLOURING AGENTS KRT18, IK, SDHA KDM4E 763/4885L3MBTL1 4521/4885TSHR 4746/4885
US-20160296447-A1 MEANS FOR OXIDATIVE DYEING OF KERATIN FIBERS CONTAINING NOVEL TETRA-SUBSTITUTED DERIVATIVES OF PYRIMIDINE KRT18, TK1, DPYD KDM4E 1574/4885L3MBTL1 4543/4885TSHR 2998/4885
US-20140165300-A1 REDUCTION OF AMMONIA ODOR WHEN COLORING AND/OR LIGHTENING HAIR OAT, KRT18, AKR7A2 KDM4E 598/4885L3MBTL1 3482/4885TSHR 3497/4885
US-20170252280-A1 METHOD FOR SIMULTANEOUSLY AND PERMANENTLY RESHAPING AND COLORING KERATIN FIBERS KRT18, CKMT1A; CKMT1B, DNMT1 KDM4E 3053/4885L3MBTL1 2675/4885TSHR 3200/4885
US-20140170223-A1 POST OXIDATIVE HAIR TREATMENT AGENT WITH SILICONE KRT18, MGMT, PLOD3 KDM4E 240/4885L3MBTL1 3241/4885TSHR 4305/4885
US-20110146006-A1 CATIONIC ACYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS KRT18, AADAC, KAT7 KDM4E 1245/4885L3MBTL1 4425/4885TSHR 3523/4885
US-20170273879-A1 THICKENING DEVELOPER FOR OXIDATION DYES CYBA, LPO, ACOX1 KDM4E 2743/4885L3MBTL1 3490/4885TSHR 2121/4885

“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.