SCHEMBL822786

SCHEMBL822786

CCCCCCCCCCOc1cc(C)ccc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
TDP1 Q9NUW8 2/20 0.53
CYP2C9 P11712 2/20 0.53
TTR P02766 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C8 P10632 1/20 0.53
CHRM1 P11229 1/20 0.53
ADRA1A P35348 1/20 0.53
PPARG P37231 1/20 0.53
HTR2B P41595 1/20 0.53
PPARA Q07869 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SLCO1B3 Q9NPD5 1/20 0.53
CISD1 Q9NZ45 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53
ALDH1A1 P00352 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL13475543 1.00 TSHR (0.60) TSHRTDP1CYP2C9TTRCYP1A2
SCHEMBL4102060 1.00 TSHR (0.60) TSHRTDP1CYP2C9TTRCYP1A2
SCHEMBL2712500 1.00 TSHR (0.60) TSHRTDP1CYP2C9TTRCYP1A2
SCHEMBL13475550 1.00 TSHR (0.60) TSHRTDP1CYP2C9TTRCYP1A2
SCHEMBL6738557 1.00 TSHR (0.60) TSHRTDP1CYP2C9TTRCYP1A2
SCHEMBL13475548 1.00 TSHR (0.60) TSHRTDP1CYP2C9TTRCYP1A2
SCHEMBL13475545 0.98 TSHR (0.62) TSHRTDP1CYP2C9TTRCYP1A2
SCHEMBL10241943 0.92 TSHR (0.64) TSHRTDP1CYP2C9TTRCYP1A2
SCHEMBL13926323 0.88 TSHR (0.49) TSHRTDP1CYP2C9TTRCYP1A2
SCHEMBL14279018 0.87 MAPT (0.55) TDP1CYP2C9CYP1A2SMN1; SMN2ALDH1A1

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-8383931-B2 Derivatives or dipyrannylidene type as anode interface layer in electronic devices COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2013-02-26 US disclosed
US-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-8142908-B2 Polymer light-emitting material comprising a conjugated polymer and compound exhibiting light emission from the triplet excited state and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-27 US disclosed
US-20120008068-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 US disclosed
US-8012603-B2 Polyanilines; strong fluorescence and large charge transporting properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-06 US disclosed
US-20110083730-A1 DERIVATIVES OR DIPYRANNYLIDENE TYPE AS ANODE INTERFACE LAYER IN ELECTRONIC DEVICES COMMISSARIAT A L'ENERGIE ATOMIQUE 2011-04-14 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 US disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
US-20100033086-A1 POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20100033086-A1 POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-11 US disclosed
EP-2123691-A1 POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2009-11-25 EP disclosed
US-20080138651-A1 Polyanilines; strong fluorescence and large charge transporting properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-06-12 US disclosed
US-7208567-B2 Polymer compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-24 US disclosed
US-20070051922-A1 Polymer light-emitting material and polymer light-emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-08 US disclosed
US-20070040164-A1 Polymer complex compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-02-22 US disclosed
US-7157154-B2 Organoboron polymers; photoconductivity; inks; thin films; semiconductors; surface light sources; dot matrix displays SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-02 US 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 (6 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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND C9, H1-10, CYP1A1 TSHR 185/4885TDP1 4003/4885CYP2C9 68/4885
US-20110083730-A1 DERIVATIVES OR DIPYRANNYLIDENE TYPE AS ANODE INTERFACE LAYER IN ELECTRONIC DEVICES OCIAD2, OCIAD1, OSTC TSHR 4612/4885TDP1 2769/4885CYP2C9 376/4885
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 TSHR 1144/4885TDP1 3931/4885CYP2C9 54/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 TSHR 368/4885TDP1 4012/4885CYP2C9 42/4885
US-20080138651-A1 Polyanilines; strong fluorescence and large charge transporting properties BRS3, SLC43A1, MRPS23 TSHR 1412/4885TDP1 3524/4885CYP2C9 2765/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR TSHR 2878/4885TDP1 4605/4885CYP2C9 912/4885

“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.