SCHEMBL3463935

SCHEMBL3463935

NCCCC/C=C(\F)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.58
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PLG P00747 1/20 0.38
ALOX15 P16050 1/20 0.38
SLC6A2 P23975 1/20 0.38
RECQL P46063 1/20 0.38
SLC6A3 Q01959 1/20 0.38
EP300 Q09472 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GABRR3 A8MPY1 1/20 0.36
GABRP O00591 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
SCHEMBL3463938 1.00 GABRR1 (0.58) GABRR1CYP2D6NFKB1BLMNPSR1
SCHEMBL3463937 1.00 GABRR1 (0.58) GABRR1CYP2D6NFKB1BLMNPSR1
SCHEMBL3226430 0.98 GABRR1 (0.56) GABRR1CYP2D6NFKB1BLMNPSR1
SCHEMBL3463386 0.98 GABRR1 (0.56) GABRR1CYP2D6NFKB1BLMNPSR1
SCHEMBL3463573 0.98 GABRR1 (0.56) GABRR1CYP2D6NFKB1BLMNPSR1
SCHEMBL3463171 0.98 GABRR1 (0.56) GABRR1CYP2D6NFKB1BLMNPSR1
SCHEMBL3463388 0.98 GABRR1 (0.56) GABRR1CYP2D6NFKB1BLMNPSR1
Hydrochloric Acid SCHEMBL3462864 0.98 GABRR1 (0.56) GABRR1CYP2D6NFKB1BLMNPSR1
Hydrochloric Acid SCHEMBL3462863 0.98 GABRR1 (0.56) GABRR1CYP2D6NFKB1BLMNPSR1
SCHEMBL3226434 0.98 GABRR1 (0.56) GABRR1CYP2D6NFKB1BLMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111391-B9 NEW UNSATURATED FATTY AMINO-ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FABRE PIERRE DERMO COSMETIQUE (FR) 2013-05-29 EP claimed
EP-2111391-B1 NEW UNSATURATED FATTY AMINO-ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FABRE PIERRE DERMO COSMETIQUE (FR) 2012-10-31 EP claimed
EP-2111391-B9 NEW UNSATURATED FATTY AMINO-ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FABRE PIERRE DERMO COSMETIQUE (FR) 2013-05-29 EP disclosed
EP-2111391-B1 NEW UNSATURATED FATTY AMINO-ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FABRE PIERRE DERMO COSMETIQUE (FR) 2012-10-31 EP disclosed
US-20100240754-A1 UNSATURATED FATTY AMINO ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY Pierre Fabre Demo-Cosmetique (FR) 2010-09-23 US disclosed
US-20100240754-A1 UNSATURATED FATTY AMINO ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY Pierre Fabre Demo-Cosmetique (FR) 2010-09-23 US disclosed
WO-2008090073-A1 NEW UNSATURATED FATTY AMINO-ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY PIERRE FABRE DERMO-COSMETIQUE (FR) 2008-07-31 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 (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-20100240754-A1 UNSATURATED FATTY AMINO ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FFAR3, FFAR2, BCAT1 GABRR1 2764/4885CYP2D6 507/4885NFKB1 1129/4885

“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.