SCHEMBL797213

SCHEMBL797213

C[Si](C)[Zr](Cl)(Cl)C1C=Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.36
KDM4E B2RXH2 2/20 0.33
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL797215 0.82 HTR2A (0.36) HTR2AKDM4EBRD4CCL2LMNA
SCHEMBL9099460 0.82 HTR2A (0.36) HTR2AKDM4EBRD4CCL2LMNA
SCHEMBL8409887 0.79 RET (0.36) HTR2AKDM4EBRD4CCL2LMNA
SCHEMBL4445268 0.79 HTR2A (0.35) HTR2AKDM4EBRD4CCL2LMNA
SCHEMBL550007 0.79 HTR2A (0.38) HTR2AKDM4EBRD4CCL2LMNA
SCHEMBL137961 0.79 HTR2A (0.38) HTR2AKDM4EBRD4CCL2LMNA
SCHEMBL7712285 0.79 HTR6 (0.33) HTR2AKDM4EBRD4CCL2LMNA
SCHEMBL7889109 0.78 HTR2A (0.37) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL7941885 0.77 HTR2A (0.36) HTR2AKDM4EBRD4CCL2LMNA
SCHEMBL5926289 0.77 HTR2A (0.33) HTR2AKDM4ELMNATP53CHRM2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785671-B2 6,13-dihalogen-5,14-dihydropentacene derivative and method for producing 6,13-substituted-5,14-dihydropentacene derivative using same NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2014-07-22 US disclosed
US-20130079530-A1 6,13-DIHALOGEN-5,14-DIHYDROPENTACENE DERIVATIVE AND METHOD FOR PRODUCING 6,13-SUBSTITUTED-5,14-DIHYDROPENTACENE DERIVATIVE USING SAME NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY 2013-03-28 US disclosed
EP-1262469-B1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2012-01-11 EP disclosed
US-7901594-B2 Electroconductivity JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2011-03-08 US disclosed
EP-1219657-B1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-03-19 EP disclosed
US-6586554-B1 Polyarylene and method for production thereof JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-07-01 US disclosed
US-20030116755-A1 Polyacene derivatives and production thereof JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-06-26 US disclosed
EP-1262469-A1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-12-04 EP disclosed
EP-1219657-A1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-07-03 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 (2 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-20130079530-A1 6,13-DIHALOGEN-5,14-DIHYDROPENTACENE DERIVATIVE AND METHOD FOR PRODUCING 6,13-SUBSTITUTED-5,14-DIHYDROPENTACENE DERIVATIVE USING SAME DHCR7, DHCR24, DHPS HTR2A 1092/4885KDM4E 2270/4885BRD4 436/4885
US-20030116755-A1 Polyacene derivatives and production thereof CBR1, HVCN1, H1-0 HTR2A 1503/4885KDM4E 1200/4885BRD4 1907/4885

“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.