SCHEMBL628797

SCHEMBL628797

COc1ccc(C(CC(C)=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
HPGD P15428 1/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 3/20 0.54
FFAR1 O14842 3/20 0.54
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CRHBP P24387 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
CRHR2 Q13324 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LDHA P00338 1/20 0.52
CACNA2D1 P54289 2/20 0.51
CACNA1B Q00975 2/20 0.51

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
SCHEMBL2889581 0.94 TDP1 (0.60) LMNAHPGDGAAL3MBTL1KMT2A
SCHEMBL2889577 0.94 TDP1 (0.60) LMNAHPGDGAAL3MBTL1KMT2A
SCHEMBL6484578 0.88 FFAR1 (0.66) LMNAHPGDGAAL3MBTL1KMT2A
SCHEMBL27702953 0.85 TNF (0.55) LMNAHPGDGAAL3MBTL1KMT2A
SCHEMBL7557544 0.84 AKR1C3 (0.64) LMNAL3MBTL1FFAR1TDP1CYP1A2
SCHEMBL15199300 0.83 LMNA (0.56) LMNAHPGDGAAL3MBTL1KMT2A
SCHEMBL28489153 0.83 FFAR1 (0.61) LMNAHPGDL3MBTL1KMT2AFFAR1
SCHEMBL9392616 0.83 HPGD (0.56) LMNAHPGDGAAL3MBTL1KMT2A
SCHEMBL27553229 0.82 AOC3 (0.56) GAAL3MBTL1KMT2AFFAR1LDHA
SCHEMBL27553231 0.82 AOC3 (0.56) GAAL3MBTL1KMT2AFFAR1LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1514542-B1 Medicinal composition comprising Tacrine or Donepezil for improving brain function. TOYAMA CHEMICAL CO LTD (JP) 2012-02-22 EP claimed
US-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 US disclosed
WO-1994025427-A1 ETHANOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-10 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 (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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 LMNA 1401/4885HPGD 2031/4885GAA 1165/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 LMNA 1481/4885HPGD 2375/4885GAA 1193/4885

“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.