SCHEMBL15908233

SCHEMBL15908233

Cc1ccc(C2(c3ccc(C)cc3)OCCO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.40
MAOA P21397 2/20 0.40
ACHE P22303 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP26A1 O43174 3/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
CYP26B1 Q9NR63 2/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
SLC6A2 P23975 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CHRND Q07001 1/20 0.39
RXRG P48443 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL14081492 0.91 OPRM1 (0.42) ACHECYP26A1RXRARXRBCYP26B1
SCHEMBL12857747 0.88 TEAD4 (0.45) MAOBMAOAACHETDP1CYP26A1
SCHEMBL15866268 0.86 CYP26A1 (0.38) MAOBMAOACYP26A1RXRARXRB
SCHEMBL12857953 0.86 ACHE (0.56) MAOBMAOAACHECHRNA1CHRNG
SCHEMBL12857831 0.86 ACHE (0.56) MAOBMAOAACHECHRNA1CHRNG
SCHEMBL12857775 0.82 ACHE (0.50) MAOBMAOAACHETDP1CHRNA1
SCHEMBL12858083 0.82 ACHE (0.50) MAOBMAOAACHETDP1CHRNA1
SCHEMBL12857955 0.82 ACHE (0.50) MAOBMAOAACHETDP1CHRNA1
SCHEMBL13745119 0.80 ESR1 (0.45) ACHECYP26A1RXRARXRBCYP26B1
SCHEMBL12857745 0.80 MEN1 (0.45) ACHETDP1CYP26A1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2690122-B1 AROMATIC SULFONIC ACID DERIVATIVE, SULFONIC ACID GROUP-CONTAINING POLYMER, BLOCK COPOLYMER, POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE FORM ARTICLE, AND POLYMER ELECTROLYTE FUEL CELL TORAY INDUSTRIES (JP) 2017-03-29 EP disclosed
US-9553326-B2 Aromatic sulfonic acid derivative, sulfonic acid group-containing polymer, block copolymer, polymer electrolyte material, polymer electrolyte form article, and polymer electrolyte fuel cell TORAY INDUSTRIES, INC. (JP) 2017-01-24 US disclosed
US-9126908-B2 Aromatic sulfonic acid derivative, sulfonic acid group-containing polymer, block copolymer, polymer electrolyte material, polymer electrolyte form article, and polymer electrolyte fuel cell TORAY INDUSTRIES, INC. (JP) 2015-09-08 US disclosed
US-20140322628-A1 POLYMER ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE ASSEMBLY USING SAME AND POLYMER ELECTROLYTE FUEL CELL TORAY INDUSTRIES, INC. (JP) 2014-10-30 US disclosed
US-20140213671-A1 AROMATIC SULFONIC ACID DERIVATIVE, SULFONIC ACID GROUP-CONTAINING POLYMER, BLOCK CO-POLYMER, POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE MOLDED BODY, AND SOLID POLYMER FUEL CELL TORAY INDUSTRIES, INC. (JP) 2014-07-31 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-20140213671-A1 AROMATIC SULFONIC ACID DERIVATIVE, SULFONIC ACID GROUP-CONTAINING POLYMER, BLOCK CO-POLYMER, POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE MOLDED BODY, AND SOLID POLYMER FUEL CELL PAH, SMCHD1, ASIC1 MAOB 3507/4885MAOA 3649/4885ACHE 4787/4885

“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.