SCHEMBL1109762

SCHEMBL1109762

Cc1cc(C)c([Mg]I)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 9/20 0.39
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 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
SCHEMBL818424 0.75 RAPGEF4 (0.43) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL28040387 0.73 RAPGEF4 (0.41) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL366710 0.71 RAPGEF4 (0.39) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL1315331 0.71 CYP2A6 (0.43) ALDH1A1CYP1A2CYP2A6TSHRTDP1
SCHEMBL1314638 0.71 RAPGEF4 (0.39) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL26597005 0.67 RAPGEF4 (0.36) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL14763698 0.67 ALDH1A1 (0.40) ALDH1A1TSHRCA1CA2
SCHEMBL2975934 0.65 RAPGEF4 (0.45) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL760815 0.65 RAPGEF4 (0.45) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL28951 0.63 RAPGEF4 (0.59) RAPGEF4ALDH1A1KDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312125-A1 Solvents containing cycloalkyl alkyl ethers and process for production of the ethers KIM IDAN 2008-12-18 US claimed
EP-1405840-B1 Organometallic reaction method ZEON CORP (JP) 2014-08-20 EP disclosed
US-8163950-B2 Processes for the production of tri-organo-monoalkoxysilanes and process for the production of tri-organo-monochlorosilanes SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-20110275849-A1 PROCESSES FOR THE PRODUCTION OF TRI-ORGANO-MONOALKOXYSILANES AND PROCESS FOR THE PRODUCTION OF TRI-ORGANO-MONOCHLOROSILANES BANNOU TADASHI 2011-11-10 US disclosed
US-8017813-B2 Process for production of cycloalkyl alkyl ethers ZEON CORPORATION (JP) 2011-09-13 US disclosed
US-8008521-B2 Processes for the production of tri-organo-monoalkoxysilanes and process for the production of tri-organo-monochlorosilanes HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2011-08-30 US disclosed
CN-1837221-B Production processes for triorganomonochlorosilanes HOKKO CHEM IND CO 2011-06-08 CN disclosed
EP-2279995-A2 Process for producing cycloalkyl alkyl ethers Zeon Corporation (JP) 2011-02-02 EP disclosed
CN-100509734-C Solvent containing cycloalkyl alkyl ether and preparation method thereof NIPPON ZEON CO (JP) 2009-07-08 CN disclosed
US-20090082585-A1 PROCESSES FOR THE PRODUCTION OF TRI-ORGANO-MONOALKOXYSILANES AND PROCESS FOR THE PRODUCTION OF TRI-ORGANO-MONOCHLOROSILANES BANNOU TADASHI 2009-03-26 US disclosed
EP-1594910-A1 PROCESS FOR PREPARING A MELT-PROCESSABLE POLYAMIDE COMPOSITION DSM IP Assets B.V. (NL) 2005-11-16 EP disclosed
EP-1594911-A1 PROCESS FOR PREPARING A MELT-PROCESSABLE POLYAMIDE COMPOSITION DSM IP Assets B.V. (NL) 2005-11-16 EP disclosed
CN-1612886-A Method for producing triorgano-monoalkoxysilanes and method for producing triorgano-monochlorosilanes HOKKO CHEM IND CO (JP) 2005-05-04 CN disclosed
US-20050070730-A1 Production processes for triorganomonoalkoxysilanes and triorganomonochlorosilanes SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-03-31 US disclosed
US-20050065060-A1 Solvents containing cycloakyl alkyl ethers and process for production of the ethers ZEON CORPORATION (JP) 2005-03-24 US disclosed
CN-1543449-A Solvent containing cycloalkyl alkyl ether and preparation method thereof �ձ�������ʽ���� 2004-11-03 CN disclosed
WO-2004074347-A1 PROCESS FOR PREPARING A MELT-PROCESSABLE POLYAMIDE COMPOSITION DSM IP ASSETS B.V. (NL) 2004-09-02 WO disclosed
WO-2004074348-A1 PROCESS FOR PREPARING A MELT-PROCESSABLE POLYAMIDE COMPOSITION DSM IP ASSETS B.V. (NL) 2004-09-02 WO disclosed
EP-1449865-A1 Process for preparing a melt-processable polyamide Koninklijke DSM N.V. (NL) 2004-08-25 EP disclosed
EP-1405840-A1 SOLVENTS CONTAINING CYCLOALKYL ALKYL ETHERS AND PROCESS FOR PRODUCTION OF THE ETHERS Zeon Corporation (JP) 2004-04-07 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-20080312125-A1 Solvents containing cycloalkyl alkyl ethers and process for production of the ethers CBR1, ADH1C, ECH1 RAPGEF4 526/4885ALDH1A1 271/4885KDM4E 687/4885
US-20110275849-A1 PROCESSES FOR THE PRODUCTION OF TRI-ORGANO-MONOALKOXYSILANES AND PROCESS FOR THE PRODUCTION OF TRI-ORGANO-MONOCHLOROSILANES MLX, HAX1, RPS4X RAPGEF4 3785/4885ALDH1A1 2163/4885KDM4E 1563/4885
US-20090082585-A1 PROCESSES FOR THE PRODUCTION OF TRI-ORGANO-MONOALKOXYSILANES AND PROCESS FOR THE PRODUCTION OF TRI-ORGANO-MONOCHLOROSILANES MLX, HAX1, RPS4X RAPGEF4 3785/4885ALDH1A1 2163/4885KDM4E 1563/4885
US-20050070730-A1 Production processes for triorganomonoalkoxysilanes and triorganomonochlorosilanes MLX, HAX1, GRIA3 RAPGEF4 3024/4885ALDH1A1 2839/4885KDM4E 1751/4885

“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.