SCHEMBL1316181

SCHEMBL1316181

Ic1cccc2ccccc12.[MgH2]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
HSD17B10 Q99714 5/20 0.50
CYP2A6 P11509 3/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 5/20 0.46
HPGD P15428 3/20 0.46
CYP3A4 P08684 2/20 0.46
KEAP1 Q14145 1/20 0.46
HPRT1 P00492 1/20 0.46
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
PARP1 P09874 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
SCHEMBL29416306 0.97 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL150739 0.97 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL9636086 0.94 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Iodide SCHEMBL27283444 0.94 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Methane SCHEMBL27919243 0.92 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL12344949 0.92 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Ethane SCHEMBL27801499 0.90 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Formaldehyde SCHEMBL28554697 0.90 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL7572482 0.87 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL28746183 0.87 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103880587-B A kind of synthetic method of replace-3-of 1,5-bis-alkene-1-pentyne 扬州大学 2016-06-08 CN disclosed
CN-103880587-A Synthesis method of 1,5-disubstituted-3-ene-1-pentyne UNIV YANGZHOU 2014-06-25 CN disclosed
CN-103781752-A Method for producing alpha-hydroxy ketone compound SUMITOMO CHEMICAL CO 2014-05-07 CN 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-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
CN-1972938-B Cyclic amine compound TAISHO PHARMACEUTICAL CO LTD 2010-09-29 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
US-7459577-B2 Reacting a chlorosilane with grignard reagent SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-12-02 US disclosed
CN-1296374-C Method for producing triorgano-monoalkoxysilanes and method for producing triorgano-monochlorosilanes HOKKO CHEM IND CO (JP) 2007-01-24 CN disclosed
CN-1837221-A Production processes for triorganomonochlorosilanes HOKKO CHEM IND CO (JP) 2006-09-27 CN disclosed
CN-1753934-A Be used to prepare the method for the daiamid composition of melt-processable DSM IP ASSETS BV (NL) 2006-03-29 CN disclosed
CN-1751079-A The method of the daiamid composition of preparation melt-processable DSM IP ASSETS BV (NL) 2006-03-22 CN 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-4611071-A Metal alkyl process ETHYL CORPORATION (US) 1986-09-09 US disclosed
EP-0019330-B1 OLEFIN POLYMERIZATION CATALYST COMPOSITIONS AND A PROCESS FOR THE POLYMERIZATION OF OLEFINS EMPLOYING SUCH COMPOSITIONS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-08-31 EP disclosed
US-4400302-A TITANIUM HALIDE, ALKYL MAGNESIUM SHELL OIL COMPANY (US) 1983-08-23 US disclosed
EP-0019330-A1 Olefin polymerization catalyst compositions and a process for the polymerization of olefins employing such compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-11-26 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-20110275849-A1 PROCESSES FOR THE PRODUCTION OF TRI-ORGANO-MONOALKOXYSILANES AND PROCESS FOR THE PRODUCTION OF TRI-ORGANO-MONOCHLOROSILANES MLX, HAX1, RPS4X ALDH1A1 2163/4885HSD17B10 757/4885CYP2A6 1437/4885
US-20090082585-A1 PROCESSES FOR THE PRODUCTION OF TRI-ORGANO-MONOALKOXYSILANES AND PROCESS FOR THE PRODUCTION OF TRI-ORGANO-MONOCHLOROSILANES MLX, HAX1, RPS4X ALDH1A1 2163/4885HSD17B10 757/4885CYP2A6 1437/4885
US-20050070730-A1 Production processes for triorganomonoalkoxysilanes and triorganomonochlorosilanes MLX, HAX1, GRIA3 ALDH1A1 2839/4885HSD17B10 1543/4885CYP2A6 1350/4885

“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.