SCHEMBL3857775

SCHEMBL3857775

[CH2]CCCCCCCCC#CCC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
PTPN7 P35236 3/20 0.35
HMGCR P04035 1/20 0.35
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL10591348 1.00 RAB9A (0.39) RAB9APTPN7HMGCRRECQLTDP1
SCHEMBL313049 1.00 RAB9A (0.39) RAB9APTPN7HMGCRRECQLTDP1
SCHEMBL3862762 1.00 RAB9A (0.39) RAB9APTPN7HMGCRRECQLTDP1
SCHEMBL6324757 1.00 RAB9A (0.39) RAB9APTPN7HMGCRRECQLTDP1
SCHEMBL1116755 1.00 RAB9A (0.39) RAB9APTPN7HMGCRRECQLTDP1
SCHEMBL3868201 1.00 RAB9A (0.39) RAB9APTPN7HMGCRRECQLTDP1
SCHEMBL7994751 1.00 RAB9A (0.39) RAB9APTPN7HMGCRRECQLTDP1
SCHEMBL10591685 0.97 RAB9A (0.35) RAB9APTPN7HMGCRRECQLTDP1
SCHEMBL291632 0.97
SCHEMBL9211208 0.93 RECQL (0.41) RAB9APTPN7HMGCRRECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7591995-B2 Cobalamin conjugates useful as imaging and therapeutic agents MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2009-09-22 US disclosed
US-20090060837-A1 COBALAMIN CONJUGATES USEFUL AS ANTITUMOR AGENTS COLLINS DOUGLAS A 2009-03-05 US disclosed
US-7468432-B2 Cobalamin conjugates useful as antitumor agents MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2008-12-23 US disclosed
WO-2008136850-A2 COBALAMIN CONJUGATES USEFUL AS IMAGING AND THERAPEUTIC AGENTS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2008-11-13 WO disclosed
US-20070116644-A1 COBALAMIN CONJUGATES USEFUL AS IMAGING AND THERAPEUTIC AGENTS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2007-05-24 US disclosed
US-6838073-B1 Cobalamin conjugates useful as imaging and therapeutic agents MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2005-01-04 US disclosed
US-6806363-B1 DRUGS FOR DIAGNOSIS/THERAPY; RADIONUCLIDE-BASED TUMOR IMAGING MAYO FOUNDATION FOR MEDICAL EDUCATION & RESEARCH 2004-10-19 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
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP 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 (3 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 1729/4885PTPN7 4190/4885HMGCR 760/4885
US-20070116644-A1 COBALAMIN CONJUGATES USEFUL AS IMAGING AND THERAPEUTIC AGENTS MMAB, SLC19A1, SLC19A2 RAB9A 1134/4885PTPN7 4654/4885HMGCR 673/4885
US-20090060837-A1 COBALAMIN CONJUGATES USEFUL AS ANTITUMOR AGENTS MMAB, SLC19A2, SLC19A1 RAB9A 1729/4885PTPN7 4190/4885HMGCR 760/4885

“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.