SCHEMBL7150587

SCHEMBL7150587

O=C(O)CCCCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
HDAC1 Q13547 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
PTGER1 P34995 1/20 0.57
PTGFR P43088 1/20 0.57
FFAR4 Q5NUL3 4/20 0.56
FFAR1 O14842 3/20 0.56
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
FAAH O00519 3/20 0.53
CES1 P23141 3/20 0.53
EPHX1 P07099 1/20 0.52
CYSLTR2 Q9NS75 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
HDAC3 O15379 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 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
SCHEMBL11755472 0.98 HDAC1 (0.60) MAPTRXFP1HDAC1HDAC8PTGER1
SCHEMBL1981615 0.94 FFAR4 (0.59) MAPTRXFP1HDAC1HDAC8PTGER1
SCHEMBL11038837 0.90 HDAC1 (0.58) MAPTRXFP1HDAC1HDAC8PTGER1
SCHEMBL11041817 0.90 HDAC1 (0.58) MAPTRXFP1HDAC1HDAC8PTGER1
SCHEMBL11038941 0.90 HDAC1 (0.58) MAPTRXFP1HDAC1HDAC8PTGER1
SCHEMBL11038774 0.88 HDAC1 (0.59) MAPTHDAC1HDAC8FFAR4FFAR1
SCHEMBL30412030 0.88 EPHX1 (0.59) HDAC1HDAC8TAAR1FAAHCES1
SCHEMBL365336 0.87 FFAR1 (0.70) MAPTHDAC1HDAC8FFAR4FFAR1
SCHEMBL25233635 0.86 KDM4E (0.54) MAPTHDAC1HDAC8PTGER1PTGFR
SCHEMBL29499605 0.86 KDM4E (0.54) MAPTHDAC1HDAC8PTGER1PTGFR

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-1339668-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2003-09-03 EP disclosed
US-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS, INC. 2002-09-12 US disclosed
WO-2002044126-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2002-06-06 WO disclosed
EP-0038343-B1 SUBSTITUTED CARBOXYLIC CETO-ACIDS, PROCESS FOR THE PREPARATION THEREOF, USE THEREOF AND MEDICINAL COMPOSITIONS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-12-27 EP disclosed
EP-0051077-A1 Substituted oxocarboxylic acids, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-05-12 EP disclosed
EP-0038343-A1 SUBSTITUTED CARBOXYLIC CETO-ACIDS, PROCESS FOR THE PREPARATION THEREOF, USE THEREOF AND MEDICINAL COMPOSITIONS CONTAINING THEM. BYK GULDEN LOMBERG CHEM FAB (DE) 1981-10-28 EP disclosed
WO-1981001285-A1 SUBSTITUTED CARBOXYLIC CETO-ACIDS,PROCESS FOR THE PREPARATION THEREOF,USE THEREOF AND MEDICINAL COMPOSITIONS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1981-05-14 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-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use PPIG, PIN1, PPIH MAPT 1168/4885RXFP1 4875/4885HDAC1 799/4885

“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.