SCHEMBL4099741

SCHEMBL4099741

NC(N)=NCCCCCO

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.64
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP1A2 P05177 2/20 0.59
ALOX15 P16050 1/20 0.59
NFKB1 P19838 1/20 0.59
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL4100693 1.00 DHPS (0.64) DHPSMEN1KMT2ACYP1A2ALOX15
SCHEMBL4097449 0.97
SCHEMBL4103710 0.88
SCHEMBL1736310 0.88 DHPS (0.78) DHPSMEN1KMT2ACYP1A2ALOX15
Hydrochloric Acid SCHEMBL3139421 0.85 DHPS (0.74) DHPSMEN1KMT2ACYP1A2ALOX15
Synthalin SCHEMBL9948763 0.85 DHPS (0.74) DHPSMEN1KMT2ACYP1A2ALOX15
Hydrochloric Acid SCHEMBL21715459 0.85 DHPS (0.74) DHPSMEN1KMT2ACYP1A2ALOX15
Arcaine SCHEMBL1737639 0.85 CYP1A2 (0.77) DHPSMEN1KMT2ACYP1A2ALOX15
Synthalin SCHEMBL873155 0.82 DHPS (0.70) DHPSMEN1KMT2ACYP1A2ALOX15
Bromide SCHEMBL17799781 0.79 MIF (0.44) DHPSMEN1KMT2ACYP1A2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805674-B1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORP (JP) 2003-03-12 EP claimed
US-6348200-B1 OXYALKYLAMIDE OR AMINE DERIVATIVES;AT LEAST ONE OF POLYHYDRIC ALCOHOLS, OR VEGETABLE EXTRACTS, OR ORGANIC ACIDS; IMPROVES WATER-RETAINING ABILITY OF HORNY LAYER, CURES ROUGHNESS AND PREVENTS WRINKLES KAO CORPORATION (JP) 2002-02-19 US claimed
EP-0805674-A1 SKIN AND HAIR COSMETIC COMPOSITIONS Kao Corporation (JP) 1997-11-12 EP claimed
WO-1997014401-A1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORPORATION (JP) 1997-04-24 WO claimed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-20050249692-A1 Polymer, cosmetic composition comprising same and method of preparing same MITSUBISHI CHEMICAL CORPORATION 2005-11-10 US disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP disclosed
EP-1462463-A1 Guanidin-group containing polymer, cosmetic employing same and method of preparing same Mitsubishi Chemical Corporation (JP) 2004-09-29 EP disclosed
US-20020172655-A1 Cosmetic-use polymer, cosmetic employing same, and method of preparing same MITSUBISHI CHEMICAL CORPORATION 2002-11-21 US disclosed
EP-1236744-A2 Guanidin-group containing polymer, cosmetic employing same and method of preparing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-09-04 EP disclosed
US-6348200-B1 OXYALKYLAMIDE OR AMINE DERIVATIVES;AT LEAST ONE OF POLYHYDRIC ALCOHOLS, OR VEGETABLE EXTRACTS, OR ORGANIC ACIDS; IMPROVES WATER-RETAINING ABILITY OF HORNY LAYER, CURES ROUGHNESS AND PREVENTS WRINKLES KAO CORPORATION (JP) 2002-02-19 US disclosed
US-6187955-B1 A MOISTURIZER FOR SOFTENING SKINS; USEFUL AS COMPONENTS OF COSMETIC FORMULATIONS KAO CORPORATION (JP) 2001-02-13 US disclosed
US-5939078-A TREATING WRINKLES BY ADMINISTERING TO THE SKIN A GUANIDINE DERIVATIVE KAO CORPORATION (JP) 1999-08-17 US disclosed
US-5723133-A GUANIDINE WITH ORGANIC ACID FOR SKIN SOFTENING KAO CORPORATION (JP) 1998-03-03 US disclosed
EP-0805674-A1 SKIN AND HAIR COSMETIC COMPOSITIONS Kao Corporation (JP) 1997-11-12 EP disclosed
WO-1997014401-A1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORPORATION (JP) 1997-04-24 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 (6 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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA DHPS 1408/4885MEN1 261/4885KMT2A 322/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 DHPS 711/4885MEN1 294/4885KMT2A 555/4885
US-20020172655-A1 Cosmetic-use polymer, cosmetic employing same, and method of preparing same DNMT1, PRMT1, JMJD6 DHPS 413/4885MEN1 317/4885KMT2A 149/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 DHPS 737/4885MEN1 237/4885KMT2A 949/4885
US-20050249692-A1 Polymer, cosmetic composition comprising same and method of preparing same DNMT1, TET2, H1-0 DHPS 767/4885MEN1 390/4885KMT2A 101/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT DHPS 223/4885MEN1 455/4885KMT2A 665/4885

“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.