SCHEMBL2472280

SCHEMBL2472280

C=CC(=O)NCC(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
APAF1 O14727 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
GFPT1 Q06210 1/20 0.36
GABRR1 P24046 2/20 0.35
CYP1A2 P05177 1/20 0.35
FOLH1 Q04609 2/20 0.35
NAALAD2 Q9Y3Q0 2/20 0.35
TGM2 P21980 1/20 0.34
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL28554680 0.85 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL27932115 0.85 TSHR (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL5430601 0.83 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL18755013 0.80 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL372689 0.80
SCHEMBL5057278 0.80 ZDHHC20 (0.47) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL11940953 0.80 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL27932100 0.80 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL29531590 0.79 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL14901 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373695-B1 METHOD FOR PRODUCING RANDOM RADICAL COPOLYMERS AND CORRESPONDING ACTIVE INGREDIENT COMPOSITIONS OBTAINABLE THEREFROM BASF SE (DE) 2013-01-09 EP claimed
EP-2373695-A2 METHOD FOR PRODUCING RANDOM RADICAL COPOLYMERS AND CORRESPONDING ACTIVE INGREDIENT COMPOSITIONS OBTAINABLE THEREFROM BASF SE (DE) 2011-10-12 EP claimed
WO-2010063672-A2 METHOD FOR PRODUCING RANDOM RADICAL COPOLYMERS AND CORRESPONDING ACTIVE INGREDIENT COMPOSITIONS OBTAINABLE THEREFROM BASF SE (DE) 2010-06-10 WO claimed
US-20170007703-A1 COMPOSITION FOR ACCELERATING PENETRATION THROUGH SKIN, PREPARATION FOR TRANSDERMAL ADMINISTRATION, AND SKIN PATCH PREPARATION NITTO DENKO CORPORATION (JP) 2017-01-12 US disclosed
US-20170000751-A1 COMPOSITION FOR ACCELERATING PENETRATION THROUGH SKIN, PREPARATION FOR TRANSDERMAL ADMINISTRATION, AND SKIN PATCH PREPARATION NITTO DENKO CORPORATION (JP) 2017-01-05 US disclosed
EP-3100744-A1 COMPOSITION FOR ACCELERATING PENETRATION THROUGH SKIN, PREPARATION FOR TRANSDERMAL ADMINISTRATION, AND SKIN PATCH PREPARATION Nitto Denko Corporation (JP) 2016-12-07 EP disclosed
EP-3100743-A1 COMPOSITION FOR ACCELERATING PENETRATION THROUGH SKIN, PREPARATION FOR TRANSDERMAL ADMINISTRATION, AND SKIN PATCH PREPARATION Nitto Denko Corporation (JP) 2016-12-07 EP disclosed
US-20100189994-A1 AQUEOUS DISPERSIONS OF CROSS-LINKED, TERTIARY ESTER GROUPS CONTAINING EMULSION POLYMERISATES AND WATER-ABSORBENT MATERIALS ON A CARRIER MATERIAL MADE THEREOF BASF SE (DE) 2010-07-29 US disclosed
US-20080281014-A1 Nanosubstance-Containing Composition, Process for Producing the Same, and Composite Made With the Same MITSUBISHI RAYON CO., LTD. (JP) 2008-11-13 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 (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-20170000751-A1 COMPOSITION FOR ACCELERATING PENETRATION THROUGH SKIN, PREPARATION FOR TRANSDERMAL ADMINISTRATION, AND SKIN PATCH PREPARATION CUTA, C5AR2, C5 TSHR 4399/4885ALDH1A1 4620/4885MAPK1 4117/4885

“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.