SCHEMBL3371283

SCHEMBL3371283

CC[CH]NC(CC)CCC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
LMNA P02545 3/20 0.32
CNR1 P21554 1/20 0.32
ADRA1A P35348 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ABCC3 O15438 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC7 Q8WUI4 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL3373342 0.90 TAS1R3 (0.38) TAS1R3TAS1R1ADRA1ATDP1HDAC7
SCHEMBL3020276 0.84
SCHEMBL5265109 0.83 TAS1R3 (0.38) TAS1R3TAS1R1
SCHEMBL22157600 0.78 TAS1R3 (0.32) TAS1R3TAS1R1
SCHEMBL3376456 0.77
SCHEMBL270981 0.75
SCHEMBL22157511 0.75
SCHEMBL4200832 0.75
SCHEMBL22157397 0.73 TAS1R3 (0.31) TAS1R3TAS1R1
SCHEMBL22157396 0.73 TAS1R3 (0.31) TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
EP-1844052-A1 THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION Pharmacia & Upjohn Company LLC (US) 2007-10-17 EP disclosed
US-7091261-B1 Yellow hue compound and aqueous ink for ink-jet recording system using the same MITSUI CHEMICALS, INC. (JP) 2006-08-15 US disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed
EP-1174477-B1 ANTHRAQUINONE COMPOUND AND WATER-BASED INK-JET RECORDING INK CONTAINING THE COMPOUND MITSUI CHEMICALS INC (JP) 2006-04-26 EP disclosed
US-6800674-B2 WATER RESISTANCE AND ALSO IN LIGHT FASTNESS AND COMPATIBILITY WITH A RESIN; STORAGE STABILITY; FOR FORMING HIGH-QUALITY UNBLOTTED IMAGE MITSUI CHEMICALS, INC. (JP) 2004-10-05 US disclosed
EP-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-20030078318-A1 Anthraquinone compound and water-based ink-jet recording ink containing the compound MITSUI CHEMICALS, INC. (JP) 2003-04-24 US disclosed
EP-0818512-B1 Quinoline derivative and use of same MITSUI CHEMICALS INC (JP) 2002-10-02 EP disclosed
US-6407242-B1 REACTING A PHTHALIMIDE COMPOUND WITH A QUINOLINE COMPOUND;ELECTROLUMINESCENCE MITSUI CHEMICALS, INC. (JP) 2002-06-18 US disclosed
EP-1174477-A1 ANTHRAQUINONE COMPOUND AND WATER-BASED INK-JET RECORDING INK CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2002-01-23 EP disclosed
EP-1125990-A1 YELLOW COMPOUND AND WATER-BASED INK-JET RECORDING INK CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2001-08-22 EP disclosed
US-6132640-A ZINC COMPLEXES OF QUINOLINE MITSUI CHEMICALS, INC. (JP) 2000-10-17 US disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
EP-0818512-A1 Quinoline derivative and use of same MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-01-14 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 (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-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI TAS1R3 1059/4885TAS1R1 745/4885LMNA 1440/4885

“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.