SCHEMBL4457342

SCHEMBL4457342

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.36
HTR6 P50406 1/20 0.36
SIGMAR1 Q99720 6/20 0.33
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

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
SCHEMBL7615275 0.84 HTR2A (0.34) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL7644941 0.81 HTR6 (0.33) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL7770537 0.81 HTR6 (0.33) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL3627507 0.79 HTR2A (0.37) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL8666606 0.79 RET (0.34) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL1065902 0.79 HTR2A (0.33) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL2777171 0.79 HTR2A (0.33) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL8681705 0.78 SIGMAR1 (0.32) HTR2AHTR6SIGMAR1
SCHEMBL6440494 0.77 HTR6 (0.33) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL437961 0.77 SIGMAR1 (0.31) HTR2AHTR6SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131705-A1 Practical, Cost-Effective Synthesis of Ubiquinones ZYMES, LLC 2009-05-21 US disclosed
EP-1968608-A2 PRACTICAL, COST-EFFECTIVE SYNTHESIS OF UBIQUINONES Zymes, LLC (US) 2008-09-17 EP disclosed
US-20080086013-A1 CARBOMETALLATION OF ALKYNES AND IMPROVED SYNTHESIS OF UNIQUINONES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-10 US disclosed
WO-2008019196-A2 CARBOMETALLATION OF ALKYNES AND IMPROVED SYNTHSIS OF UBIQUINONES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-02-14 WO disclosed
WO-2007078679-A2 PRACTICAL, COST-EFFECTIVE SYNTHESIS OF UBIQUINONES ZYMES, LLC (US) 2007-07-12 WO disclosed
US-20060167289-A1 Practical, cost-effective synthesis of ubiquinones ZYMES, LLC (US) 2006-07-27 US disclosed
US-6927184-B1 Method of producing microfiber nonwovens that contain cycloolefin polymers TICONA GMBH (DE) 2005-08-09 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 (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-20080086013-A1 CARBOMETALLATION OF ALKYNES AND IMPROVED SYNTHESIS OF UNIQUINONES NDUFA10, NDUFB10, NDUFV1 HTR2A 2418/4885HTR6 2149/4885SIGMAR1 2899/4885
US-20060167289-A1 Practical, cost-effective synthesis of ubiquinones SQOR, NDUFS6, NDUFS5 HTR2A 2734/4885HTR6 1713/4885SIGMAR1 4443/4885
US-20090131705-A1 Practical, Cost-Effective Synthesis of Ubiquinones SQOR, NDUFS6, NDUFS5 HTR2A 2734/4885HTR6 1713/4885SIGMAR1 4443/4885

“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.