SCHEMBL3208904

SCHEMBL3208904

[CH2]CCCCCCCC#CC

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35

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
SCHEMBL313636 1.00 RAB9A (0.35) RAB9A
SCHEMBL9522085 1.00 RAB9A (0.35) RAB9A
SCHEMBL9523655 1.00 RAB9A (0.35) RAB9A
SCHEMBL1116761 1.00
SCHEMBL3862754 1.00 RAB9A (0.35) RAB9A
SCHEMBL313344 1.00 RAB9A (0.35) RAB9A
SCHEMBL1042835 1.00 RAB9A (0.35) RAB9A
SCHEMBL7994720 1.00 RAB9A (0.35) RAB9A
SCHEMBL291390 0.97
SCHEMBL291782 0.88

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2067770-B1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER WAKO PURE CHEM IND LTD (JP) 2017-04-12 EP disclosed
EP-1756271-B1 METHODS FOR OBTAINING OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM 2,2-DISUBSTITUTED EPOXIDES CSIR (ZA) 2015-12-09 EP disclosed
EP-1753862-B1 METHODS FOR OBTAINING OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM MESO-EPOXIDES CSIR (ZA) 2015-11-18 EP disclosed
EP-2821395-A2 Novel disulfonic acid ester as an additive for an electrolyte for a lithium secondary battery Wako Pure Chemical Industries, Ltd. (JP) 2015-01-07 EP disclosed
US-8716513-B2 Process for production of bis-quaternary ammonium salt, and novel intermediate WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-05-06 US disclosed
US-8269038-B2 Process for production of sulfonic acid ester WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-09-18 US disclosed
US-8207337-B2 Reagent for organic synthesis reaction containing organic triol borate salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-26 US disclosed
EP-2463266-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE Wako Pure Chemical Industries, Ltd. (JP) 2012-06-13 EP disclosed
US-20120130107-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-05-24 US disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 US disclosed
US-20040166059-A1 Cobalamin conjugates useful as imaging and therapeutic agents MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2004-08-26 US disclosed
US-20040162240-A1 Cobalamin conjugates useful as antitumor agents MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2004-08-19 US disclosed
EP-1239887-A1 COBALAMIN CONJUGATES USEFUL AS IMAGING AND THERAPEUTIC AGENTS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2002-09-18 EP disclosed
EP-1171162-A2 COBALAMIN CONJUGATES USEFUL AS ANTITUMOR AGENTS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2002-01-16 EP disclosed
US-6284784-B1 2-HYDROXYMETHYL DERIVATIVES GEORGETOWN UNIVERSITY 2001-09-04 US disclosed
WO-2001028595-A1 COBALAMIN CONJUGATES USEFUL AS IMAGING AND THERAPEUTIC AGENTS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2001-04-26 WO disclosed
WO-2000062808-A2 COBALAMIN CONJUGATES USEFUL AS ANTITUMOR AGENTS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2000-10-26 WO disclosed
EP-1015427-A1 SUBSTITUTED 2-PYRROLIDINONE ACTIVATORS OF PKC GEORGETOWN UNIVERSITY (US) 2000-07-05 EP disclosed
US-5962504-A ACTIVATOR OF PROTEIN KINASE; ANTICANCER AGENT GEORGETOWN UNIVERSITY (US) 1999-10-05 US disclosed
WO-1999012901-A1 SUBSTITUTED 2-PYRROLIDINONE ACTIVATORS OF PKC GEORGETOWN UNIVERSITY (US) 1999-03-18 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 (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-20040162240-A1 Cobalamin conjugates useful as antitumor agents MMAB, SLC19A2, SLC19A1 RAB9A 1729/4885
US-20120130107-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE ASS1, C1S, FHIT RAB9A 653/4885
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT ORC3, OXSR1, OSTC RAB9A 4039/4885
US-20040166059-A1 Cobalamin conjugates useful as imaging and therapeutic agents MMAB, SLC19A1, SLC19A2 RAB9A 1134/4885

“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.