SCHEMBL3333141

SCHEMBL3333141

C=CCc1c(OC)ccc(C=O)c1O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.50
TLR2 O60603 1/20 0.50
TLR1 Q15399 1/20 0.50
TLR6 Q9Y2C9 1/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
PTGS1 P23219 2/20 0.44
CYP3A4 P08684 1/20 0.43
ALOX5 P09917 1/20 0.43
AR P10275 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL13978664 0.88 ERN1 (0.50) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL5517444 0.84 MEN1 (0.53) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL6214835 0.84 ALDH1A1 (0.49) ERN1ALDH1A1KDM4EHPGDESR1
SCHEMBL1654624 0.82 ERN1 (0.54) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL1053945 0.80 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDESR1ESR2
SCHEMBL3958076 0.80 MAPT (0.49) ALDH1A1KDM4EHPGDPTGS1CYP3A4
SCHEMBL2051289 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDESR1ESR2
SCHEMBL3337249 0.79 ERN1 (0.51) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL13321963 0.79 KDM4E (0.40) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL3957273 0.78 SRD5A1 (0.45) ERN1ALDH1A1KDM4EHPGDPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115519842-B Soft sleep-aiding quilt cover fabric and preparation method thereof 江苏斯得福纺织股份有限公司 2024-10-22 CN claimed
CN-115519842-A Soft sleep-aiding quilt cover fabric and preparation method thereof 江苏斯得福纺织股份有限公司 2022-12-27 CN claimed
CN-115519842-B Soft sleep-aiding quilt cover fabric and preparation method thereof 江苏斯得福纺织股份有限公司 2024-10-22 CN disclosed
CN-115519842-B Soft sleep-aiding quilt cover fabric and preparation method thereof 江苏斯得福纺织股份有限公司 2024-10-22 CN disclosed
CN-115519842-A Soft sleep-aiding quilt cover fabric and preparation method thereof 江苏斯得福纺织股份有限公司 2022-12-27 CN disclosed
CN-115519842-A Soft sleep-aiding quilt cover fabric and preparation method thereof 江苏斯得福纺织股份有限公司 2022-12-27 CN disclosed
US-20100144729-A1 COUMARIN DERIVATIVES NOVARTIS AG (CH) 2010-06-10 US disclosed
US-20090318546-A1 Chromen-2-One Derivatives NOVARTIS AG (CH) 2009-12-24 US disclosed
EP-2109606-A1 CHROMENE S1P1 RECEPTOR ANTAGONIST Novartis Ag (CH) 2009-10-21 EP disclosed
EP-2010511-A1 CHROMEN-2-ONE DERIVATIVES Novartis AG (CH) 2009-01-07 EP disclosed
WO-2008092930-A1 CHROMENE S1P1 RECEPTOR ANTAGONIST NOVARTIS AG (CH) 2008-08-07 WO disclosed
WO-2007115820-A1 CHROMEN-2-ONE DERIVATIVES NOVARTIS AG (CH) 2007-10-18 WO disclosed
EP-1256583-B1 Pyrimidine-4-one derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-08-10 EP disclosed
US-6747032-B2 DOUBLE ALPHA 2/5-HT 2C ANTAGONISTS USED TO TREAT DEPRESSION, IMPULSIVE BEHAVIOUR DISORDERS, ANXIETY, SCHIZOPHRENIA, PARKINSON'S DISEASE, COGNITIVE DISORDERS AND DISORDERS INVOLVING SEXUAL FUNCTION, SLEEP AND EATING LES LABORATOIRES SERVIER (FR) 2004-06-08 US disclosed
US-20030087916-A1 Pyrimidin-4-one compounds LES LABORATOIRES SERVIER (FR) 2003-05-08 US disclosed
EP-1256583-A1 Pyrimidine-4-one derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-11-13 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 (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-20090318546-A1 Chromen-2-One Derivatives CYP1A2, CYP4B1, CYP1B1 ERN1 1633/4885TLR2 3287/4885TLR1 3515/4885
US-20100144729-A1 COUMARIN DERIVATIVES F3, CYP3A7, CYP3A4 ERN1 908/4885TLR2 2753/4885TLR1 3070/4885
US-20030087916-A1 Pyrimidin-4-one compounds HTR2C, HTR1A, HTR4 ERN1 2675/4885TLR2 541/4885TLR1 1044/4885

“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.