SCHEMBL4100687

SCHEMBL4100687

N=C(N)NCCCCCCO

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALOX15 P16050 1/20 0.47
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
TDP1 Q9NUW8 1/20 0.39
ALB P02768 1/20 0.36
EPHX1 P07099 1/20 0.36
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
EPHX2 P34913 2/20 0.34
SPHK1 Q9NYA1 2/20 0.33
ACHE P22303 2/20 0.33

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
SCHEMBL4099737 1.00 MEN1 (0.57) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL17022779 0.98 MEN1 (0.55) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL17022787 0.98 MEN1 (0.55) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL1587580 0.97
Hydrochloric Acid SCHEMBL17022778 0.95 MEN1 (0.52) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL1176598 0.90
SCHEMBL3069140 0.89 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL3072659 0.89 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL10728151 0.89 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL1923256 0.89 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961263-B2 Cell-penetrating, guanidinium-rich oligophosphotriesters for drug and probe delivery THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-03-30 US disclosed
US-20200308200-A1 CELL-PENETRATING, GUANIDINIUM-RICH OLIGOPHOSPHOTRIESTERS FOR DRUG AND PROBE DELIVERY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-10-01 US disclosed
US-10654875-B2 Cell-penetrating, guanidinium-rich oligophosphotriesters for drug and probe delivery THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-05-19 US disclosed
US-20180319825-A1 CELL-PENETRATING, GUANIDINIUM-RICH OLIGOPHOSPHOTRIESTERS FOR DRUG AND PROBE DELIVERY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2018-11-08 US disclosed
EP-3373977-A1 CELL-PENETRATING, GUANIDINIUM-RICH OLIGOPHOSPHOTRIESTERS FOR DRUG AND PROBE DELIVERY The Board of Trustees of the Leland Stanford Junior University (US) 2018-09-19 EP disclosed
WO-2017083637-A1 CELL-PENETRATING, GUANIDINIUM-RICH OLIGOPHOSPHOTRIESTERS FOR DRUG AND PROBE DELIVERY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-05-18 WO disclosed
US-20150250217-A1 SALTY TASTE-ENHANCING AGENT AND MANUFACTURING METHOD THEREFOR, AND SALTY TASTE-ENHANCING METHOD NISSAN FOODS HOLDINGS CO., LTD. (JP) 2015-09-10 US disclosed
EP-2910130-A1 SALTY TASTE-ENHANCING AGENT AND MANUFACTURING METHOD THEREFOR, AND SALTY TASTE-ENHANCING METHOD Nissin Foods Holdings Co., Ltd. (JP) 2015-08-26 EP disclosed
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
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
CN-1065527-C Guanidine derivatives, process for producing granidine derivatives and cosmetics containing guanidine derivatives KAO CORP (JP) 2001-05-09 CN 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
CN-1166135-A Cosmetic compsns. KAO CORP (JP) 1997-11-26 CN 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
CN-1127249-A Guanidine derivatives, process for producing granidine derivatives and cosmetics containing guanidine derivatives KAO CORP (JP) 1996-07-24 CN 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 (7 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-20180319825-A1 CELL-PENETRATING, GUANIDINIUM-RICH OLIGOPHOSPHOTRIESTERS FOR DRUG AND PROBE DELIVERY SLC29A1, SLC29A2, SLC7A1 MEN1 4199/4885CYP1A2 3565/4885KMT2A 4727/4885
US-20150250217-A1 SALTY TASTE-ENHANCING AGENT AND MANUFACTURING METHOD THEREFOR, AND SALTY TASTE-ENHANCING METHOD TAS2R8, TAS2R13, TAS2R38 MEN1 957/4885CYP1A2 4676/4885KMT2A 2646/4885
US-10961263-B2 Cell-penetrating, guanidinium-rich oligophosphotriesters for drug and probe delivery SLC29A1, SLC29A2, SLC7A1 MEN1 4199/4885CYP1A2 3565/4885KMT2A 4727/4885
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA MEN1 261/4885CYP1A2 1788/4885KMT2A 322/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 MEN1 294/4885CYP1A2 2280/4885KMT2A 555/4885
US-20200308200-A1 CELL-PENETRATING, GUANIDINIUM-RICH OLIGOPHOSPHOTRIESTERS FOR DRUG AND PROBE DELIVERY SLC29A1, SLC29A2, SLC7A1 MEN1 4199/4885CYP1A2 3565/4885KMT2A 4727/4885
US-10654875-B2 Cell-penetrating, guanidinium-rich oligophosphotriesters for drug and probe delivery SLC29A1, SLC29A2, SLC7A1 MEN1 4199/4885CYP1A2 3565/4885KMT2A 4727/4885

“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.