SCHEMBL4390744

SCHEMBL4390744

CCCCCCCOc1ccc([O])cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.66
TP53 P04637 2/20 0.62
TSHR P16473 1/20 0.62
PLA2G4B P0C869 5/20 0.61
LTA4H P09960 3/20 0.58
RARB P10826 3/20 0.57
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
PLA2G4A P47712 1/20 0.54
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL2091717 1.00 NR5A1 (0.66) NR5A1TP53TSHRPLA2G4BLTA4H
SCHEMBL2095109 1.00 NR5A1 (0.66) NR5A1TP53TSHRPLA2G4BLTA4H
SCHEMBL2093109 1.00 NR5A1 (0.66) NR5A1TP53TSHRPLA2G4BLTA4H
SCHEMBL4401485 1.00 NR5A1 (0.66) NR5A1TP53TSHRPLA2G4BLTA4H
SCHEMBL2090760 1.00 NR5A1 (0.66) NR5A1TP53TSHRPLA2G4BLTA4H
SCHEMBL4397530 1.00 NR5A1 (0.66) NR5A1TP53TSHRPLA2G4BLTA4H
SCHEMBL9172862 1.00 NR5A1 (0.66) NR5A1TP53TSHRPLA2G4BLTA4H
SCHEMBL987666 1.00 NR5A1 (0.66) NR5A1TP53TSHRPLA2G4BLTA4H
SCHEMBL21633716 1.00 NR5A1 (0.66) NR5A1TP53TSHRPLA2G4BLTA4H
SCHEMBL2088911 0.98 NR5A1 (0.62) NR5A1TP53TSHRPLA2G4BLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP disclosed
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-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
EP-0120463-B1 ANTHRAQUINONE DYES AND LIQUID CRYSTAL COMPOSITIONS INCLUDING THE SAME HITACHI, LTD. (JP) 1991-11-06 EP disclosed
US-4610804-A Anthraquinone dyes and liquid crystal compositions including the same HITACHI, LTD. (JP) 1986-09-09 US disclosed
EP-0120463-A2 Anthraquinone dyes and liquid crystal compositions including the same HITACHI, LTD. (JP) 1984-10-03 EP 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 (4 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 NR5A1 2783/4885TP53 2350/4885TSHR 3925/4885
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 NR5A1 4308/4885TP53 4791/4885TSHR 3610/4885
US-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof CXCR2, BICRA, CXCR1 NR5A1 392/4885TP53 2761/4885TSHR 771/4885
US-20040102629-A1 Thioquinazolinone derivatives and combinatorial libraries thereof TTI1, RPS4Y1, TSNAX NR5A1 2037/4885TP53 1904/4885TSHR 1083/4885

“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.