SCHEMBL3258641

SCHEMBL3258641

C=C(CCCC)C(=O)O.O=C1CCCCCO1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
NAAA Q02083 1/20 0.33
IL6ST P40189 1/20 0.32
CYP1A2 P05177 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
DUSP3 P51452 1/20 0.30

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
SCHEMBL15161868 0.91 CA1 (0.48) CA1CA9
SCHEMBL15161800 0.90 CA1 (0.50) CA1CA9ALDH1A1
SCHEMBL3959055 0.87 CA1 (0.47) CA1CA9
Valeric Acid SCHEMBL27694073 0.85 CA1 (0.52) CA1CA9ALDH1A1LTB4RLTB4R2
Butyrolactone SCHEMBL28503593 0.85 CA1 (0.42) CA1CA9ALDH1A1
SCHEMBL18130362 0.84 CA1 (0.50) CA1CA9ALDH1A1
SCHEMBL31346638 0.82 CA1 (0.44) CA1CA9ALDH1A1
SCHEMBL8999588 0.81 CA1 (0.41) CA1CA9
Hexanoate SCHEMBL28426223 0.81 AKR1B1 (0.50) CA1CA9CYP1A2ALDH1A1LTB4R
Tetrahydrofuran SCHEMBL29101951 0.80 CES1 (0.38) CA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063585-A1 MANUFACTURE, METHOD AND USE OF ACTIVE SUBSTANCE-RELEASING MEDICAL PRODUCTS FOR PERMANENTLY KEEPING BLOOD VESSELS OPEN HEMOTEQ AG (DE) 2010-03-11 US claimed
US-20050129731-A1 Biocompatible, biostable coating of medical surfaces HEMOTEQ AG (DE) 2005-06-16 US claimed
CN-102458497-B Catheter balloon coated with shellac and paclitaxel 生物传感器欧洲股份公司 2020-11-24 CN disclosed
US-20140099354-A1 BIOPASSIVATING MEMBRANE STABILIZATION BY MEANS OF NITROCARBOXYLIC ACID-CONTAINING PHOSPHOLIPIDS IN PREPARATIONS AND COATINGS Dietz, Ulrich (DE) 2014-04-10 US disclosed
US-8623097-B2 Implant system having a functional implant composed of degradable metal material BIOTRONIK VI PATENT AG (CH) 2014-01-07 US disclosed
US-20130005758-A1 MANUFACTURE, METHOD AND USE OF DRUG-ELUTING MEDICAL DEVICES FOR PERMANENTLY KEEPING BLOOD VESSELS OPEN HEMOTEQ AG. 2013-01-03 US disclosed
CN-1889974-B Oligopeptides as coating material for medical products HEMOTEQ GMBH 2012-08-29 CN disclosed
US-20100063585-A1 MANUFACTURE, METHOD AND USE OF ACTIVE SUBSTANCE-RELEASING MEDICAL PRODUCTS FOR PERMANENTLY KEEPING BLOOD VESSELS OPEN HEMOTEQ AG (DE) 2010-03-11 US disclosed
US-20100010640-A1 IMPLANT SYSTEM HAVING A FUNCTIONAL IMPLANT COMPOSED OF DEGRADABLE METAL MATERIAL BIOTRONIK VI PATENT AG (CH) 2010-01-14 US disclosed
US-20050129731-A1 Biocompatible, biostable coating of medical surfaces HEMOTEQ AG (DE) 2005-06-16 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 (4 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-20100063585-A1 MANUFACTURE, METHOD AND USE OF ACTIVE SUBSTANCE-RELEASING MEDICAL PRODUCTS FOR PERMANENTLY KEEPING BLOOD VESSELS OPEN RICTOR, VEGFA, RPTOR CA1 3500/4885CA9 1688/4885NAAA 1680/4885
US-20140099354-A1 BIOPASSIVATING MEMBRANE STABILIZATION BY MEANS OF NITROCARBOXYLIC ACID-CONTAINING PHOSPHOLIPIDS IN PREPARATIONS AND COATINGS PHOSPHO1, PTDSS1, LIPG CA1 989/4885CA9 1217/4885NAAA 71/4885
US-20130005758-A1 MANUFACTURE, METHOD AND USE OF DRUG-ELUTING MEDICAL DEVICES FOR PERMANENTLY KEEPING BLOOD VESSELS OPEN RICTOR, VEGFA, RPTOR CA1 4199/4885CA9 1348/4885NAAA 3618/4885
US-20050129731-A1 Biocompatible, biostable coating of medical surfaces MSR1, CD44, PIGS CA1 1897/4885CA9 1138/4885NAAA 3340/4885

“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.