SCHEMBL6496581

SCHEMBL6496581

O=C1CCC(Cc2ccccc2)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.49
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
CYP1A2 P05177 2/20 0.42
CTRB1 P17538 1/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.41
HTR1A P08908 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HDAC8 Q9BY41 2/20 0.40
FASN P49327 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL14486238 1.00 GRM2 (0.49) GRM2SLC6A2SLC6A4SLC6A3F2
SCHEMBL7634585 0.89 GRM2 (0.46) GRM2SLC6A2SLC6A4SLC6A3F2
SCHEMBL5688628 0.88 GRM2 (0.45) GRM2SLC6A2SLC6A4SLC6A3F2
SCHEMBL25253641 0.82 CYP26A1 (0.43) SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL9452532 0.82 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19
SCHEMBL18973360 0.80 ESR1 (0.48)
SCHEMBL32665727 0.80 ESR1 (0.48)
SCHEMBL19760193 0.80 ALDH1A1 (0.43) CYP1A2MAPT
SCHEMBL7286647 0.80 CYP1A2 (0.53) SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL7628338 0.79 GRM2 (0.53) GRM2SLC6A2SLC6A4SLC6A3F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273503-A1 NOVEL ANGIOTENSIN CONVERTING ENZYME INHIBITOR RIKEN (JP) 2018-09-27 US disclosed
US-10059650-B2 Systems and methods for the depolymerization of a biopolymer YALE UNIVERSITY (US) 2018-08-28 US disclosed
US-20180000761-A1 Methods for Making Catechin Derivatives UNIVERSITY OF SOUTH FLORIDA (US) 2018-01-04 US disclosed
US-20160130202-A1 Systems and Methods for the Depolymerization of a Biopolymer YALE UNIVERSITY 2016-05-12 US disclosed
US-20050113366-A1 Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of $g(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses UNIVERSITE LOUIS PASTEUR (ETABLISSEMENT PUBLIC A CARACTERE SCIENTIFIQUE, CULTUREL ET PROFESSIONNEL) (FR) 2005-05-26 US disclosed
CN-1128819-C Water soluble polymers and their use in cosmetic formulations BASF AG (DE) 2003-11-26 CN disclosed
EP-1347950-A1 DERIVATIVES OF 4-HYDROXYBUTANOIC ACID AND OF ITS HIGHER HOMOLOGUE AS LIGANDS OF GAMMA-HYDROXYBUTYRATE (GHB) RECEPTORS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND PHARMACEUTICAL USES Université Louis Pasteur, (Etablissement public à caractère scientifique, culturel et professionnel) (FR) 2003-10-01 EP disclosed
US-6458348-B1 Use of water-soluble polymers as biocides BASF AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed
WO-2002042250-A1 DERIVATIVES OF 4-HYDROXYBUTANOIC ACID AND OF ITS HIGHER HOMOLOGUE AS LIGANDS OF η-HYDROXYBUTYRATE (GHB) RECEPTORS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND PHARMACEUTICAL USES UNIVERSITE LOUIS PASTEUR (ETABLISSEMENT PUBLIC A CARACTERE SCIENTIFIQUE, CULTUREL ET PROFESSIONNEL) (FR) 2002-05-30 WO disclosed
EP-0915915-B1 WATER SOLUBLE POLYMERS AND THEIR USE IN COSMETIC FORMULATIONS BASF AG (DE) 2001-10-31 EP disclosed
US-6271327-B1 HYDROXYALKYLACRYLIC AMIDES AND DIHYDROXYALKYLACRYLIC IMIDE POLYMERS BASF AKTIENGESELLSCHAFT (DE) 2001-08-07 US disclosed
EP-1014788-A1 USE OF WATER-SOLUBLE POLYMERS AS BIOCIDES BASF AKTIENGESELLSCHAFT (DE) 2000-07-05 EP disclosed
CN-1232473-A Water-soluble polymers and their use in cosmetic formulations BASF AG (DE) 1999-10-20 CN disclosed
EP-0915915-A1 WATER SOLUBLE POLYMERS AND THEIR USE IN COSMETIC FORMULATIONS BASF AKTIENGESELLSCHAFT (DE) 1999-05-19 EP disclosed
WO-1999012420-A1 USE OF WATER-SOLUBLE POLYMERS AS BIOCIDES BASF AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed
WO-1998004596-A1 WATER SOLUBLE POLYMERS AND THEIR USE IN COSMETIC FORMULATIONS BASF AKTIENGESELLSCHAFT (DE) 1998-02-05 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 (3 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-20050113366-A1 Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of $g(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses GABRB1, GABRA1, GABRA5 GRM2 97/4885SLC6A2 804/4885SLC6A4 650/4885
US-20180273503-A1 NOVEL ANGIOTENSIN CONVERTING ENZYME INHIBITOR ACE, ACE2, REN GRM2 3757/4885SLC6A2 647/4885SLC6A4 1976/4885
US-20180000761-A1 Methods for Making Catechin Derivatives EP300, ADH1C, ADH1A GRM2 4300/4885SLC6A2 372/4885SLC6A4 642/4885

“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.