SCHEMBL5961713

SCHEMBL5961713

C=CCc1cccc(C)c1[O]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
GAA P10253 1/20 0.42
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 4/20 0.36
AKR1B1 P15121 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4456728 0.85 GABRA1 (0.54) GABRA1GABRB2GAAMEN1KMT2A
SCHEMBL1733365 0.79 GABRA1 (0.48) GABRA1GABRB2GAAMEN1KMT2A
SCHEMBL170383 0.79 GABRA1 (0.48) GABRA1GABRB2GAAMEN1KMT2A
SCHEMBL87998 0.79 GABRA1 (0.47) GABRA1GABRB2GAAKMT2AALDH1A1
Hydrochloric Acid SCHEMBL28962287 0.78 GABRA1 (0.47) GABRA1GABRB2GAAMEN1KMT2A
SCHEMBL9003490 0.78 GABRA1 (0.47) GABRA1GABRB2GAAMEN1KMT2A
SCHEMBL2028628 0.78 GABRA1 (0.47) GABRA1GABRB2GAAMEN1KMT2A
Ammonia Solution, Strong SCHEMBL8756176 0.78 GABRA1 (0.47) GABRA1GABRB2GAAMEN1KMT2A
SCHEMBL8791921 0.77 GABRA1 (0.43) GABRA1GABRB2GAAMEN1KMT2A
SCHEMBL7572072 0.77 GABRA1 (0.45) GABRA1GABRB2GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006002022-A2 COMPOSITIONS AND METHODS USEFUL FOR THE TREATMENT OF HYPERGLYCEMIA IMMUSOL INCORPORATED (US) 2006-01-05 WO disclosed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
US-20040110228-A1 Combinatorial organic synthesis of unique biologically active compounds MCALPINE SHELLI R (US) 2004-06-10 US disclosed
US-20040102629-A1 Thioquinazolinone derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG. (DE) 2004-05-27 US disclosed
US-6677452-B1 PREPARED BY REACTING AMINE WITH PYRIDINE SUBSTITUTED WITH HALOGEN AT POSITION 6 AND WITH CARBOXY OR SULFONYL GROUP AT ANOTHER POSITION TO FORM AMIDE OR SULFONAMIDE, DISPLACING HALOGEN WITH DESIRED DIAMINE LION BIOSCIENCE AG (DE) 2004-01-13 US disclosed
US-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof LION BIOSCIENCE AG (DE) 2003-12-18 US disclosed
US-6660858-B2 Made by reacting a benzoxazole with a leaving group at the 2 position and a diamine of given formula LION BIOSCIENCE AG (DE) 2003-12-09 US disclosed
US-6627714-B2 Copolymerizing ethylene and dicyclopentadiene or tricyclopentadiene, and cyclic olefin in presence of metallocene catalyst to produce copolymer MARUZEN PETROCHEMICAL CO., LTD. (JP) 2003-09-30 US disclosed
EP-1218343-A4 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2003-06-18 EP disclosed
EP-1218739-A4 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2003-06-04 EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 EP disclosed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP disclosed
US-5925527-A SCREENING NEW PHARMACEUTICALS TREGA BIOSCIENCES, INC. (US) 1999-07-20 US disclosed
EP-0923734-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 1999-06-23 EP disclosed
US-5840500-A OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS TREGA BIOSCIENCES, INC. (US) 1998-11-24 US disclosed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO disclosed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO disclosed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES 1998-05-22 WO disclosed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 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-20040110228-A1 Combinatorial organic synthesis of unique biologically active compounds PCNA, TOP1, TOP2A GABRA1 4068/4885GABRB2 4134/4885GAA 3194/4885
US-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof CXCR2, BICRA, CXCR1 GABRA1 2116/4885GABRB2 1235/4885GAA 4789/4885
US-20040102629-A1 Thioquinazolinone derivatives and combinatorial libraries thereof TTI1, RPS4Y1, TSNAX GABRA1 3010/4885GABRB2 2684/4885GAA 4594/4885

“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.