SCHEMBL4862695

SCHEMBL4862695

COc1ccc(CCCCO)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.54
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ESR1 P03372 1/20 0.46
CYP19A1 P11511 1/20 0.46
ESR2 Q92731 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
ADRA1A P35348 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CNR1 P21554 2/20 0.43

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
SCHEMBL13528991 0.98 APLNR (0.53) APLNRCA2CA12CA1CA7
SCHEMBL80130 0.95 APLNR (0.56) APLNRCA2CA12CA1CA7
SCHEMBL30092258 0.95 APLNR (0.56) APLNRCA2CA12CA1CA7
SCHEMBL48353 0.87 APLNR (0.59) APLNRCA2CA12CA1CA7
SCHEMBL30107392 0.87 APLNR (0.63) APLNRCA2CA12CA1CA7
SCHEMBL580778 0.85 ADRA1A (0.60) MTNR1AMTNR1BADRA1ATAAR1HTR2A
SCHEMBL580782 0.85 ADRA1A (0.60) MTNR1AMTNR1BADRA1ATAAR1HTR2A
SCHEMBL581189 0.85 ADRA1A (0.60) MTNR1AMTNR1BADRA1ATAAR1HTR2A
SCHEMBL581519 0.85 ADRA1A (0.60) MTNR1AMTNR1BADRA1ATAAR1HTR2A
SCHEMBL581510 0.85 ADRA1A (0.60) MTNR1AMTNR1BADRA1ATAAR1HTR2A

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
US-7368450-B2 Antihistamines; bronchodilators; antiinflammatory agents; inflammatory bowel disorders PARION SCIENCES, INC. (US) 2008-05-06 US disclosed
EP-1485359-B1 SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2007-12-05 EP disclosed
US-7247636-B2 Phenolic guanidine sodium channel blockers PARION SCIENCES, INC. (US) 2007-07-24 US disclosed
US-7241766-B2 Methods of using phenolic guanidine sodium channel blockers PARION SCIENCES, INC. (US) 2007-07-10 US disclosed
US-7192959-B2 Antihistamines; antiinflammatory agents; bronchodilator agents; inflammatory bowel disorders; psoriasis PARION SCIENCES, INC. (US) 2007-03-20 US disclosed
US-7192958-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2007-03-20 US disclosed
EP-1485359-A4 SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2006-03-22 EP disclosed
US-6858614-B2 Phenolic guanidine sodium channel blockers PARION SCIENCES, INC. (US) 2005-02-22 US disclosed
EP-1485359-A2 SODIUM CHANNEL BLOCKERS Johnson, Michael R. (US) 2004-12-15 EP disclosed
US-20040204424-A1 Such as 4-(4-hydroxyphenyl)butylamidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride; time-release agents; for therapy of chronic bronchitis, emphysema, cystic fibrosis, and eye disorders PARION SCIENCES, INC. 2004-10-14 US disclosed
US-20040198745-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2004-10-07 US disclosed
US-20040198746-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2004-10-07 US disclosed
US-20040198747-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2004-10-07 US disclosed
US-20040198744-A1 Methods of using phenolic guanidine sodium channel blockers PARION SCIENCES, INC. 2004-10-07 US disclosed
US-20030195160-A1 Sodium channel blockers CYFI, INC. 2003-10-16 US disclosed
WO-2003070184-A2 SODIUM CHANNEL BLOCKERS JOHNSON MICHAEL R (US) 2003-08-28 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 (6 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-20040204424-A1 Such as 4-(4-hydroxyphenyl)butylamidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride; time-release agents; for therapy of chronic bronchitis, emphysema, cystic fibrosis, and eye disorders CFTR, TRPC4, TRPC5 APLNR 1059/4885CA2 109/4885CA12 1681/4885
US-20030195160-A1 Sodium channel blockers HCN4, SCN2B, SCN5A APLNR 854/4885CA2 159/4885CA12 835/4885
US-20040198747-A1 Sodium channel blockers HCN4, SCN2B, SCN5A APLNR 854/4885CA2 159/4885CA12 835/4885
US-20040198745-A1 Sodium channel blockers SCN2B, SCN4A, SCN1B APLNR 1503/4885CA2 210/4885CA12 1779/4885
US-20040198744-A1 Methods of using phenolic guanidine sodium channel blockers KCNH2, KCNH3, KCNJ1 APLNR 1484/4885CA2 148/4885CA12 1853/4885
US-20040198746-A1 Sodium channel blockers HCN4, SCN2B, SCN5A APLNR 854/4885CA2 159/4885CA12 835/4885

“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.