SCHEMBL4178185

SCHEMBL4178185

Cc1c(O)ccc2ccc(=O)oc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.66
KDM4E B2RXH2 2/20 0.66
ALDH1A1 P00352 2/20 0.66
MAPT P10636 2/20 0.66
HPGD P15428 2/20 0.66
ALOX15 P16050 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
HSD17B10 Q99714 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
PRKD3 O94806 1/20 0.66
EGFR P00533 1/20 0.66
LMNA P02545 1/20 0.66
PRKCG P05129 1/20 0.66
CYP1A2 P05177 1/20 0.66
PRKCB P05771 1/20 0.66
POLB P06746 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
THRB P10828 1/20 0.66
PRKCA P17252 1/20 0.66

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
Daphnetin SCHEMBL128212 0.79 MCL1 (1.00) MCL1KDM4EALDH1A1MAPTHPGD
Daphnetin SCHEMBL29612544 0.79 MCL1 (1.00) MCL1KDM4EALDH1A1MAPTHPGD
SCHEMBL8750107 0.79 ALDH1A1 (0.48) MCL1KDM4EALDH1A1MAPTHPGD
Daphnetin SCHEMBL29041019 0.78 MCL1 (0.96) MCL1KDM4EALDH1A1MAPTHPGD
SCHEMBL4178181 0.76 MCL1 (0.66) MCL1KDM4EALDH1A1MAPTHPGD
Daphnetin SCHEMBL28751158 0.76 MCL1 (0.92) MCL1KDM4EALDH1A1MAPTHPGD
Daphnetin SCHEMBL28897878 0.76 MCL1 (0.92) MCL1KDM4EALDH1A1MAPTHPGD
SCHEMBL31004966 0.76 CA9 (1.00) MCL1KDM4EALDH1A1MAPTHPGD
SCHEMBL11434277 0.76 CA9 (1.00) MCL1KDM4EALDH1A1MAPTHPGD
SCHEMBL30599780 0.76 CA9 (1.00) MCL1KDM4EALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56040601-A None JP disclosed
US-8080565-B2 Substituted 4-amino-benzylpiperidine compounds THERAVANCE, INC. (US) 2011-12-20 US disclosed
US-20090023777-A1 Substituted 4-amino-benzylpiperidine compounds THERAVANCE BIOPHARMA R&D IP, LLC 2009-01-22 US disclosed
US-7368463-B2 Substituted 4-amino-1-benzylpiperidine compounds THERAVANCE, INC. (US) 2008-05-06 US disclosed
CN-101074222-A 3-substituted cumarin compound, its production, medicinal composition and use DRUG INST CHINA ACADEMY OF MED (CN) 2007-11-21 CN disclosed
US-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2005-02-03 US disclosed
JP-2004055631-A ELECTROLYTE FOR DRIVING ELECTROLYTIC CAPACITOR NICHICON CORP 2004-02-19 JP disclosed
US-6251644-B1 MIXING SOLUTION OR SUPSENSION WITH PHOTOSENSITIZER OF SPECIFIC STRUCTURE, ADJUSTING OPERATING CONDITION TO INCREASE PERMEABILITY OF VIRUS, THEN IRRADIATING WITH ULTRAVIOLET, VISIBLE, OR IONIZING RADIATION BAXTER INTERNATIONAL, INC. 2001-06-26 US disclosed
US-6169109-B1 MIXING ONE OF A NOVEL CLASS OF PSORALEN PHOTOSENSITIZERS WITH SAID SOLUTION AND IRRADIATING THE MIXTURE BAXTER INTERNATIONAL INC. 2001-01-02 US disclosed
EP-0782388-A4 PHOTODYNAMIC INACTIVATION OF VIRAL AND BACTERIAL BLOOD CONTAMINANTS WITH HALOGENATED COUMARIN AND FUROCOUMARIN SENSITIZERS BAXTER INT (US) 2000-03-08 EP disclosed
US-5789601-A MIXING WITH PHOTOSENSITIZER AND RADIATION BAXTER INTERNATIONAL INC. (US) 1998-08-04 US disclosed
EP-0782388-A1 PHOTODYNAMIC INACTIVATION OF VIRAL AND BACTERIAL BLOOD CONTAMINANTS WITH HALOGENATED COUMARIN AND FUROCOUMARIN SENSITIZERS BAXTER INTERNATIONAL INC. (US) 1997-07-09 EP disclosed
US-5516629-A Photoinactivation of viral and bacterial blood contaminants using halogenated coumarins CRYOPHARM CORPORATION (US) 1996-05-14 US disclosed
WO-1996008965-A1 PHOTODYNAMIC INACTIVATION OF VIRAL AND BACTERIAL BLOOD CONTAMINANTS WITH HALOGENATED COUMARIN AND FUROCOUMARIN SENSITIZERS BAXTER INTERNATIONAL, INC. (US) 1996-03-28 WO disclosed
US-5216176-A 7-alkoxycoumarins, dihydropsoralens, and benzodipyranones as photo-activated therapeutic agents and inhibitors of epidermal growth factor LEHIGH UNIVERSITY (US) 1993-06-01 US disclosed
EP-0467318-A1 Fluorogenic tryptophanase substrates Becton, Dickinson and Company (US) 1992-01-22 EP disclosed
WO-1990008529-A2 7-ALKOXYCOUMARINS, DIHYDROPSORALENS, AND BENZODIPYRANONES AS PHOTO-ACTIVATED THERAPEUTIC AGENTS AND INHIBITORS OF EPIDERMAL GROWTH FACTOR LEHIGH UNIVERSITY (US) 1990-08-09 WO disclosed
JP-S5640601-A DEPOSITION INHIBITOR FOR LIVING THING IN WATER NIPPON PAINT CO LTD 1981-04-16 JP disclosed
US-4235781-A 6 Or 8 Haloallyl substituted 7-hydroxycoumarins THOMAS C. ELDER, INC. (US) 1980-11-25 US disclosed
US-4216154-A CLAISEN REARRANGEMENT OF A 7-HALOALLYL ETHER OF A HYDROXYCOUMARIN THOMAS C. ELDER, INC. (US) 1980-08-05 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 (2 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-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma CHRM5, CHRM3, CHRM1 MCL1 4192/4885KDM4E 1655/4885ALDH1A1 1154/4885
US-20090023777-A1 Substituted 4-amino-benzylpiperidine compounds CHRM5, CHRM3, GPR4 MCL1 4012/4885KDM4E 734/4885ALDH1A1 1245/4885

“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.