SCHEMBL678324

SCHEMBL678324

CC(Cl)c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP19A1 P11511 7/20 0.44
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TSHR P16473 2/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP2C19 P33261 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
SCHEMBL9714752 0.84 TSHR (0.42) CYP2A6ALDH1A1CYP19A1TSHRCYP3A4
SCHEMBL87339 0.80 CYP2A6 (0.52) CYP2A6ALDH1A1CYP19A1CA12CA2
SCHEMBL7799578 0.80 CYP2A6 (0.52) CYP2A6ALDH1A1CYP19A1CA12CA2
SCHEMBL13557870 0.80 CYP2A6 (0.52) CYP2A6ALDH1A1CYP19A1CA12CA2
SCHEMBL1342407 0.80 CYP19A1 (0.47) CYP2A6ALDH1A1CYP19A1CA12CA2
SCHEMBL691038 0.80 CYP19A1 (0.47) CYP2A6ALDH1A1CYP19A1CA12CA2
Chloroform SCHEMBL28563775 0.79 CA2 (0.55) CYP2A6ALDH1A1CYP19A1CA12CA2
SCHEMBL2865480 0.79 ADRB2 (0.41) ALDH1A1TSHRL3MBTL1
SCHEMBL320277 0.76 PGR (0.49) CYP2A6ALDH1A1CYP19A1CA12CA2
SCHEMBL15150767 0.76 CYP2A6 (0.48) CYP2A6ALDH1A1CYP19A1CA12CA2

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
US-8895568-B2 Compositions comprising substituted pteridines as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-11-25 US disclosed
US-8895568-B2 Compositions comprising substituted pteridines as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-11-25 US disclosed
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2013-09-26 US disclosed
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2013-09-26 US disclosed
US-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 US disclosed
US-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 US disclosed
EP-1619211-B1 PROCESS FOR PRODUCTION OF LIVING-RADICAL POLYMERS AND POLYMERS OTSUKA CHEMICAL CO LTD (JP) 2012-10-17 EP disclosed
US-20110275774-A1 ORGANOANTIMONY COMPOUND, PROCESS FOR PREPARING SAME, LIVING RADICAL POLYMERIZATION INITIATOR, PROCESS FOR PRODUCING POLYMER WITH USE OF SAME, AND THE POLYMER YAMAGO SHIGERU 2011-11-10 US disclosed
EP-1595894-B1 PROCESS FOR THE PRODUCTION OF LIVING RADICAL POLYMERS OTSUKA CHEMICAL CO LTD (JP) 2011-10-12 EP disclosed
US-8008414-B2 Organic antimony compound, process for producing the same, living radical polymerization initiator, process for producing polymer using the same, and polymer OTSUKA CHEMICAL CO., LTD. (JP) 2011-08-30 US disclosed
EP-1541592-B1 PROCESS FOR PRODUCTION OF LIVING RADICAL POLYMERS AND POLYMERS OBTAINED THEREFROM OTSUKA CHEMICAL CO LTD (JP) 2007-05-02 EP disclosed
EP-1767539-A1 ORGANIC ANTIMONY COMPOUND, PROCESS FOR PRODUCING THE SAME, LIVING RADICAL POLYMERIZATION INITIATOR, PROCESS FOR PRODUCING POLYMER USING THE SAME, AND POLYMER OTSUKA CHEMICAL COMPANY, LTD. (JP) 2007-03-28 EP disclosed
US-20060199927-A1 Process for production of living-radical polymers and polymers Outdoor Wireless Networks LLC 2006-09-07 US disclosed
US-20060167199-A1 Process for produciton of living radical polymers and polymers OTSUKA CHEMICAL CO., LTD. (JP) 2006-07-27 US disclosed
US-20060135711-A1 Process for the production of living radical polymers and polymers OTSUKA CHEMICAL CO., LTD. (JP) 2006-06-22 US disclosed
EP-1619211-A1 PROCESS FOR PRODUCTION OF LIVING-RADICAL POLYMERS AND POLYMERS OTSUKA CHEMICAL COMPANY, LIMITED (JP) 2006-01-25 EP disclosed
EP-1595894-A1 PROCESS FOR THE PRODUCTION OF LIVING RADICAL POLYMERS AND POLYMERS OTSUKA CHEMICAL COMPANY, LIMITED (JP) 2005-11-16 EP disclosed
US-20050245714-A1 Organic tellurium compound, process for producing the same, living radical polymerization initiator, process for producing polymer with the same, and polymer OTSUKA CHEMICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1541550-A1 ORGANIC TELLURIUM COMPOUND, PROCESS FOR PRODUCING THE SAME, LIVING RADICAL POLYMERIZATION INITIATOR, PROCESS FOR PRODUCING POLYMER WITH THE SAME, AND POLYMER Otsuka Chemical Co., Ltd. (JP) 2005-06-15 EP disclosed
EP-1541592-A1 PROCESS FOR PRODUCTION OF LIVING RADICAL POLYMERS AND POLYMERS OTSUKA CHEMICAL COMPANY, LIMITED (JP) 2005-06-15 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-20050245714-A1 Organic tellurium compound, process for producing the same, living radical polymerization initiator, process for producing polymer with the same, and polymer ODC1, TERB1, TTI1 CYP2A6 2282/4885ALDH1A1 1201/4885CYP19A1 1990/4885
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS CBR3, CBR1, AKR1C4 CYP2A6 151/4885ALDH1A1 72/4885CYP19A1 1435/4885
US-20060135711-A1 Process for the production of living radical polymers and polymers CBR3, CBR1, CCNT1 CYP2A6 934/4885ALDH1A1 483/4885CYP19A1 897/4885

“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.