SCHEMBL3856077

SCHEMBL3856077

[CH2]CCC#CCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.50
HMGCR P04035 3/20 0.50
RECQL P46063 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 3/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7991151 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL10948997 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL4431565 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL158129 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL3863172 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL3858612 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL10948772 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL154493 0.97 PTPN7 (0.46) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL10900975 0.90 PTPN7 (0.53) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL14759549 0.90 HMGCR (0.53) PTPN7HMGCRRECQLTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20080286832-A1 Methods for Obtaining Optically Active Epoxides and Vicinal Diols From 2,2-Disubstituted Epoxides COUNCIL FOR SCIENTIFIC AND INDUSTRIAL RESEARCH (ZA) 2008-11-20 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-20080213833-A1 Methods for Obtaining Optically Active Glycidyl Ethers and Optically Active Vicinal Diols from Racemic Substrates OXRANE (UK) LTD. (GB) 2008-09-04 US disclosed
US-20080199912-A1 Methods for Obtaining Optically Active Epoxides and Diols from 2,3-Disubstituted and 2,3-Trisubstituted Epoxides OXYRANE (UK) LTD. (GB) 2008-08-21 US disclosed
EP-1896597-A2 METHODS FOR OBTAINING OPTICALLY ACTIVE EPOXIDES AND DIOLS FROM 2,3-DISUBSTITUTED AND 2,3-TRISUBSTITUTED EPOXIDES CSIR (ZA) 2008-03-12 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-2001002413-A1 BAFIlOMYCIN DERIVATIVES WITH ANTICANCER ACTIVITY INSTITUTO BIOMAR S.A. (ES) 2001-01-11 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
EP-0727473-B1 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-01-12 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
US-5833879-A LOW TEMPERATURE MISCIBILITY AND COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS; DISPLAYS CONTAINING MIXTURES OF AT LEAST TWO COMPOUNDS, PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 1998-11-10 US disclosed
EP-0727473-A2 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-08-21 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 (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-20080199912-A1 Methods for Obtaining Optically Active Epoxides and Diols from 2,3-Disubstituted and 2,3-Trisubstituted Epoxides EPHX2, ERG28, EPHX1 PTPN7 4861/4885HMGCR 1301/4885RECQL 461/4885
US-20090060837-A1 COBALAMIN CONJUGATES USEFUL AS ANTITUMOR AGENTS MMAB, SLC19A2, SLC19A1 PTPN7 4190/4885HMGCR 760/4885RECQL 902/4885
US-20080213833-A1 Methods for Obtaining Optically Active Glycidyl Ethers and Optically Active Vicinal Diols from Racemic Substrates GALE, DERA, GNE PTPN7 4402/4885HMGCR 1834/4885RECQL 1971/4885
US-20080286832-A1 Methods for Obtaining Optically Active Epoxides and Vicinal Diols From 2,2-Disubstituted Epoxides EPHX2, ERG28, DERA PTPN7 4868/4885HMGCR 1703/4885RECQL 788/4885

“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.