SCHEMBL3475707

SCHEMBL3475707

OCCNN(NCCO)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 3/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
MITF O75030 1/20 0.37
TTR P02766 1/20 0.37
GLA P06280 1/20 0.37
RAD52 P43351 1/20 0.37
KCNH2 Q12809 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36

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
Sulfuric Acid SCHEMBL5176324 0.90 ALDH1A1 (0.41) POLBKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL10826961 0.82 POLB (0.41) POLBKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5827177 0.78 RAB9A (0.41) POLBKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL8447828 0.78 ALDH1A1 (0.39) POLBKMT2AMEN1ALDH1A1RAB9A
SCHEMBL5366701 0.77 KIF11 (0.42) POLBKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL3233448 0.77 ALDH1A1 (0.42) POLBKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL11207151 0.77 CYP3A4 (0.38) KMT2AMEN1ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL7906677 0.76 ALDH1A1 (0.41) POLBKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4823355 0.75 ALDH1A1 (0.41) POLBKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6666470 0.71 ALDH1A1 (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1HTT

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7771734-B2 Process to color and permanently restructure hair WELLA AG (DE) 2010-08-10 US claimed
EP-1655056-B1 Process to colour and permanently restructure hair WELLA AG (DE) 2008-07-02 EP claimed
US-7273058-B2 Dividing hair into individual strands and winding on curlers; prior to application on hair, mixing shaping component with dye component having keratin-reducing agent and 4,5-diaminopyrazole and/or aminophenol derivative(s); fixing, rinsing WELLA AG (DE) 2007-09-25 US claimed
EP-0858796-B2 Oxidative hair dye WELLA AG (DE) 2007-04-11 EP claimed
US-20060096042-A1 Process to color and permanently restructure hair HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2006-05-11 US claimed
EP-1655056-A1 Process to colour and permanently restructure hair Wella AG (DE) 2006-05-10 EP claimed
EP-1287812-B1 Method of simultaneously dyeing and permanent waving the hair WELLA AG (DE) 2006-04-05 EP claimed
US-6945254-B2 Method for simultaneously dyeing and permanent shaping of hair WELLA AKTIENGESELLSCHAFT (DE) 2005-09-20 US claimed
US-20050086749-A1 Method for simultaneously dyeing and permanent shaping of hair HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2005-04-28 US claimed
US-20030084518-A1 Method for simultaneously dyeing and permanent shaping of hair HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-05-08 US claimed
EP-1287812-A2 Method of simultaneously dyeing and permanent waving the hair Wella Aktiengesellschaft (DE) 2003-03-05 EP claimed
US-7771734-B2 Process to color and permanently restructure hair WELLA AG (DE) 2010-08-10 US disclosed
EP-1655056-B1 Process to colour and permanently restructure hair WELLA AG (DE) 2008-07-02 EP disclosed
US-7273058-B2 Dividing hair into individual strands and winding on curlers; prior to application on hair, mixing shaping component with dye component having keratin-reducing agent and 4,5-diaminopyrazole and/or aminophenol derivative(s); fixing, rinsing WELLA AG (DE) 2007-09-25 US disclosed
EP-0858796-B2 Oxidative hair dye WELLA AG (DE) 2007-04-11 EP disclosed
US-20030093867-A1 Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-05-22 US disclosed
US-20030084518-A1 Method for simultaneously dyeing and permanent shaping of hair HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-05-08 US disclosed
EP-1287812-A2 Method of simultaneously dyeing and permanent waving the hair Wella Aktiengesellschaft (DE) 2003-03-05 EP disclosed
EP-0858796-B1 Oxidative hair dye WELLA AG (DE) 2003-02-26 EP disclosed
EP-0858796-A2 Oxidative hair dye Wella Aktiengesellschaft (DE) 1998-08-19 EP 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 (3 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-20050086749-A1 Method for simultaneously dyeing and permanent shaping of hair KRT18, KDM5B, KDM5C POLB 409/4885KMT2A 446/4885MEN1 3790/4885
US-20030093867-A1 Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives KRT18, DSP, TUBB4B POLB 706/4885KMT2A 1043/4885MEN1 3993/4885
US-20030084518-A1 Method for simultaneously dyeing and permanent shaping of hair KRT18, KMO, TYR POLB 540/4885KMT2A 526/4885MEN1 4747/4885

“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.