SCHEMBL5897555

SCHEMBL5897555

C1=CC2(c3ccccc31)C(c1ccccc1)C2c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 0.32
NPC1L1 Q9UHC9 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD1 P21728 1/20 0.31
ADRA1A P35348 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CACNB4 O00305 1/20 0.31
CACNA1A O00555 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNG3 O60359 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNB3 P54284 1/20 0.31

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
SCHEMBL8648641 0.71 TMEM97 (0.37) HTR2AHTR2CHTR2BCHRM2CHRM4
SCHEMBL15265879 0.71 CHRM2 (0.36) HTR2AHTR2CHTR2BCHRM2CHRM4
SCHEMBL5331260 0.69 TMEM97 (0.39) HTR2AHTR2CHTR2BCHRM2CHRM4
SCHEMBL2287265 0.66 GAA (0.36) HTR2CHTR2B
SCHEMBL29842453 0.66 GAA (0.36) HTR2CHTR2B
SCHEMBL1387826 0.64 GAA (0.36)
SCHEMBL18573347 0.63 GAA (0.33)
SCHEMBL22584880 0.63 GAA (0.33)
SCHEMBL79022 0.63 KDM4E (0.39)
SCHEMBL251287 0.63 KDM4E (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060069277-A1 CHIRAL ORGANOMETALLIC COMPOUNDS FOR USE IN ASYMMETRIC SYNTHESIS AVECIA LIMITED (GB) 2006-03-30 US disclosed
US-7019158-B1 Chiral organometallic compounds for use in asymmetric synthesis AVECIA LIMITED (GB) 2006-03-28 US disclosed
EP-1417030-A1 CHIRAL ORGANOMETALLIC COMPOUNDS FOR USE IN ASYMMETRIC SYNTHESIS Avecia Limited (GB) 2004-05-12 EP disclosed
WO-2003013724-A1 CHIRAL ORGANOMETALLIC COMPOUNDS FOR USE IN ASYMMETRIC SYNTHESIS AVECIA LIMITED (GB) 2003-02-20 WO 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 (1 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-20060069277-A1 CHIRAL ORGANOMETALLIC COMPOUNDS FOR USE IN ASYMMETRIC SYNTHESIS PIN1, PRMT7, PRMT5 HTR2A 4631/4885HTR2C 4052/4885HTR2B 4145/4885

“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.