SCHEMBL95441

SCHEMBL95441

[O]CCC/C=C/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.50
SIGMAR1 Q99720 2/20 0.46
IDO1 P14902 2/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
TBXAS1 P24557 1/20 0.42
HTR2A P28223 3/20 0.42
MAOB P27338 2/20 0.42
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL95442 1.00 PAM (0.50) PAMSIGMAR1IDO1HDAC3HDAC4
SCHEMBL95781 0.94 PAM (0.48) PAMSIGMAR1IDO1HDAC3HDAC4
SCHEMBL95782 0.94 PAM (0.48) PAMSIGMAR1IDO1HDAC3HDAC4
SCHEMBL94815 0.86 PAM (0.54) PAMSIGMAR1IDO1HDAC3HDAC4
SCHEMBL94816 0.86 PAM (0.54) PAMSIGMAR1IDO1HDAC3HDAC4
SCHEMBL3240089 0.86 IDO1 (0.52) PAMSIGMAR1IDO1HDAC3HDAC4
SCHEMBL3795388 0.84 SIGMAR1 (0.50) PAMSIGMAR1IDO1HDAC3HDAC4
SCHEMBL2064831 0.83 SIGMAR1 (0.46) PAMSIGMAR1IDO1HDAC3HDAC4
SCHEMBL7568412 0.81 IDO1 (0.56) PAMSIGMAR1IDO1HTR2AMAOB
SCHEMBL7939387 0.81 IDO1 (0.56) PAMSIGMAR1IDO1HTR2AMAOB

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569524-B2 Bis(tetrahydrofuran) compound, method for production of the compund, and use of the compound GLYTECH INC. (JP) 2013-10-29 US disclosed
EP-2123655-B1 BIS(TETRAHYDROFURAN) COMPOUND, METHOD FOR PRODUCTION OF THE COMPOUND, AND USE OF THE COMPOUND OTSUKA CHEMICAL CO LTD (JP) 2013-04-10 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20100105931-A1 BIS(TETRAHYDROFURAN) COMPOUND, METHOD FOR PRODUCTION OF THE COMPOUND, AND USE OF THE COMPOUND OTSUKA CHEMICAL CO., LTD. (JP) 2010-04-29 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2123655-A1 BIS(TETRAHYDROFURAN) COMPOUND, METHOD FOR PRODUCTION OF THE COMPOUND, AND USE OF THE COMPOUND Otsuka Chemical Co., Ltd. (JP) 2009-11-25 EP disclosed
WO-2000026194-A1 NOVEL 1-ARYL-4-THIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed
EP-0998468-A1 SUBSTITUTED 3-PHENYL ISOXAZOLINES BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
WO-2000023413-A1 METHOD FOR DRYING PHENOXYMETHYLBENZOIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2000-04-27 WO disclosed
EP-0971904-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
WO-1999005130-A1 SUBSTITUTED 3-PHENYL ISOXAZOLINES BASF AKTIENGESELLSCHAFT (DE) 1999-02-04 WO disclosed
EP-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 EP disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB PAM 4480/4885SIGMAR1 2794/4885IDO1 2039/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 PAM 4635/4885SIGMAR1 2364/4885IDO1 2948/4885
US-20100105931-A1 BIS(TETRAHYDROFURAN) COMPOUND, METHOD FOR PRODUCTION OF THE COMPOUND, AND USE OF THE COMPOUND BDNF, NGF, NTRK2 PAM 3004/4885SIGMAR1 1152/4885IDO1 1793/4885

“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.