SCHEMBL4597981

SCHEMBL4597981

CCCCc1ccc(C(=O)OC2CCCCC2)c(C(=O)OC)c1CCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
CNR1 P21554 5/20 0.40
CNR2 P34972 5/20 0.40
NAAA Q02083 2/20 0.39
DRD2 P14416 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
EPHX1 P07099 1/20 0.35
HPGD P15428 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
HSP90B1 P14625 1/20 0.34

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
SCHEMBL27625049 0.90 NAAA (0.45) ALDH1A1HTTCNR1CNR2NAAA
SCHEMBL28337063 0.84 ALDH1A1 (0.39) ALDH1A1CNR1CNR2SMN1; SMN2NPC1
SCHEMBL28141407 0.80 PPARA (0.42) ALDH1A1HTTNAAA
SCHEMBL18489615 0.79 PPARA (0.41) CNR2
SCHEMBL28649757 0.79 PPARA (0.44) ALDH1A1HTTCNR1CNR2MAPT
SCHEMBL27951175 0.79 PPARA (0.44) ALDH1A1HTTCNR1CNR2MAPT
SCHEMBL7939821 0.77 SCN1A (0.54) ALDH1A1HTTCNR1CNR2NAAA
SCHEMBL11118770 0.77 PPARA (0.49) ALDH1A1HTTCNR1CNR2NAAA
SCHEMBL7190804 0.76 TYR (0.39) HTTCNR1CNR2MAPTMEN1
SCHEMBL27907225 0.74 PPARA (0.48) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1897559-A1 Sulfoalkyl ether cyclodextrin based controlled release solid pharmaceutical formulations Cydex Inc. (US) 2008-03-12 EP disclosed
EP-1897560-A1 Sulfoalkyl ether cyclodextrin based controlled release solid pharmaceutical formulations Cydex Inc. (US) 2008-03-12 EP disclosed
EP-1876914-A2 LIGNAN-CONTAINING COMPOSITIONS Archer-Daniels-Midland Company (US) 2008-01-16 EP disclosed
EP-1859790-A2 Sulfoalkyl ether cyclodextrin based controlled release solid pharmaceutical formulations Cydex Inc. (US) 2007-11-28 EP disclosed
EP-1140960-B1 SULFOALKYL ETHER CYCLODEXTRIN BASED CONTROLLED RELEASE SOLID PHARMACEUTICAL FORMULATIONS CYDEX INC (US) 2007-09-26 EP disclosed
EP-1799759-A1 4-PHENYLBUTYRIC ACID CONTROLLED-RELEASE FORMULATIONS FOR THERAPEUTIC USE Lunamed Inc. (CH) 2007-06-27 EP disclosed
US-20060234948-A1 Lignan-containing compositions ARCHER -DANIELS- MIDLAND COMPANY 2006-10-19 US disclosed
WO-2006107820-A2 LIGNAN-CONTAINING COMPOSITIONS ARCHER-DANIELS-MIDLAND COMPANY (US) 2006-10-12 WO disclosed
WO-2006059237-A1 4-PHENYLBUTYRIC ACID CONTROLLED-RELEASE FORMULATIONS FOR THERAPEUTIC USE LUNAMED, INC. (CH) 2006-06-08 WO disclosed
US-20060045912-A1 4-phenylbutyric acid controlled-release formulations for therapeutic use LUNAMED, INC. (CH) 2006-03-02 US disclosed
EP-1140960-A4 SULFOALKYL ETHER CYCLODEXTRIN BASED CONTROLLED RELEASE SOLID PHARMACEUTICAL FORMULATIONS CYDEX INC (US) 2003-03-26 EP disclosed
EP-0980262-B1 SOLID PHARMACEUTICAL FORMULATIONS CONTAINING A PHYSICAL MIXTURE OF SULFOALKYL ETHER CYCLODEXTRIN AND A THERAPEUTIC AGENT CYDEX INC (US) 2003-03-19 EP disclosed
US-6521247-B1 Dual iron containing nutritional supplement WARNER CHILCOTT LABORATORIES IRELAND LIMITED 2003-02-18 US disclosed
EP-1140960-A1 SULFOALKYL ETHER CYCLODEXTRIN BASED CONTROLLED RELEASE SOLID PHARMACEUTICAL FORMULATIONS Cydex Inc. (US) 2001-10-10 EP disclosed
WO-2001012163-A1 DUAL IRON-CONTAINING NUTRITIONAL SUPPLEMENT WARNER CHILCOTT LABORATORIES IRELAND LIMITED (US) 2001-02-22 WO disclosed
WO-2000041704-A1 SULFOALKYL ETHER CYCLODEXTRIN BASED CONTROLLED RELEASE SOLID PHARMACEUTICAL FORMULATIONS CYDEX, INC. (US) 2000-07-20 WO disclosed
US-6046177-A Sulfoalkyl ether cyclodextrin based controlled release solid pharmaceutical formulations CYDEX, INC. (US) 2000-04-04 US disclosed
EP-0980262-A1 SOLID PHARMACEUTICAL FORMULATIONS CONTAINING A PHYSICAL MIXTURE OF SULFOALKYL ETHER CYCLODEXTRIN AND A THERAPEUTIC AGENT Cydex Inc. (US) 2000-02-23 EP disclosed
US-5874418-A SUSTAINED RELEASE CYDEX, INC. (US) 1999-02-23 US disclosed
WO-1998050077-A1 SOLID PHARMACEUTICAL FORMULATIONS CONTAINING A PHYSICAL MIXTURE OF SULFOALKYL ETHER CYCLODEXTRIN AND A THERAPEUTIC AGENT CYDEX INC. (US) 1998-11-12 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-20060045912-A1 4-phenylbutyric acid controlled-release formulations for therapeutic use SLC6A13, SLC6A11, SLC6A1 ALDH1A1 1980/4885HTT 176/4885CNR1 2172/4885

“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.