SCHEMBL662605

SCHEMBL662605

[c]1ncc(OCc2ccccc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
CYP2C19 P33261 1/20 0.52
PTGS2 P35354 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HIF1A Q16665 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAOB P27338 6/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
MAOA P21397 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
P4HTM Q9NXG6 1/20 0.49
ALOX5 P09917 1/20 0.48
BCHE P06276 1/20 0.47
NR4A1 P22736 1/20 0.46

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
SCHEMBL224599 0.81 P4HTM (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL875608 0.78 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL14067178 0.76 LMNA (0.62) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1713718 0.76 P4HTM (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL457443 0.76 P4HTM (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL504815 0.76 MAOB (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL18297527 0.76 MAOB (0.55) LMNACYP1A2PTGS1SLC6A2CYP2C19
Benzylphenylether SCHEMBL61660 0.75 LMNA (0.74) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL339813 0.75 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL27367676 0.75 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018149226-A1 AMINO PYRIMIDINE COMPOUNDS USEFUL AS SSAO INHIBITORS ELI LILLY AND COMPANY (US) 2018-08-23 WO disclosed
WO-2018148856-A1 DIAZASPIRODECANYL-PYRIMIDINE COMPOUNDS USEFUL AS SSAO INHIBITORS ELI LILLY AND COMPANY (US) 2018-08-23 WO disclosed
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-02-23 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 (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-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME PPARA, PPARG, PPARD LMNA 950/4885CYP1A2 669/4885PTGS1 758/4885

“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.