SCHEMBL4861567

SCHEMBL4861567

COc1ccc(C#CCCO)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 5/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ ACACB O00763 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ DHFR P00374 1/20 0.40
▸ APLNR P35414 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40

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
SCHEMBL28690275 0.87 CA12 (0.47) ATMMEN1KMT2ACA12CA1
SCHEMBL1838731 0.83 PTGDR2 (0.41) ATMMEN1KMT2AALDH1A1CYP3A4
SCHEMBL23266142 0.78 ALDH1A1 (0.47) ATMMEN1KMT2ACA12CA1
SCHEMBL15802586 0.77 ATM (0.47) ATMMEN1KMT2ACYP3A4LMNA
SCHEMBL23510826 0.75 CA12 (0.54) MEN1KMT2ACA12CA1CA2
SCHEMBL23350659 0.75 CHRM2 (0.54) ATMMEN1KMT2ACA12CA1
SCHEMBL9843270 0.74 CA12 (0.52) MEN1KMT2ACA12CA1CA2
SCHEMBL6248269 0.74 APP (0.55) ATMMEN1KMT2ACA12CA1
SCHEMBL16791990 0.73 CYP2A6 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL16791726 0.73 PTGDR2 (0.50) MEN1KMT2AALDH1A1LMNA

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 ATM 4527/4885MEN1 4455/4885KMT2A 3530/4885
US-20030195160-A1 Sodium channel blockers HCN4, SCN2B, SCN5A ATM 4864/4885MEN1 1659/4885KMT2A 2421/4885
US-20040198747-A1 Sodium channel blockers HCN4, SCN2B, SCN5A ATM 4864/4885MEN1 1659/4885KMT2A 2421/4885
US-20040198745-A1 Sodium channel blockers SCN2B, SCN4A, SCN1B ATM 4873/4885MEN1 1690/4885KMT2A 3224/4885
US-20040198744-A1 Methods of using phenolic guanidine sodium channel blockers KCNH2, KCNH3, KCNJ1 ATM 4860/4885MEN1 4033/4885KMT2A 2335/4885
US-20040198746-A1 Sodium channel blockers HCN4, SCN2B, SCN5A ATM 4864/4885MEN1 1659/4885KMT2A 2421/4885

“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.

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