SCHEMBL2332071

SCHEMBL2332071

CC(Cl)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.46
HTR2B P41595 2/20 0.46
HTR2C P28335 1/20 0.46
IDO1 P14902 2/20 0.44
SIGMAR1 Q99720 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
DRD3 P35462 1/20 0.40
OPRK1 P41145 1/20 0.40
TACR1 P25103 7/20 0.40
DAO P14920 2/20 0.39
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36

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
SCHEMBL5018772 0.83 HTR2A (0.48) HTR2AHTR2BHTR2CIDO1SIGMAR1
SCHEMBL7764667 0.81 HMGCR (0.50) HTR2AHTR2BHTR2CMAPTTACR1
SCHEMBL28203907 0.79 HTR2A (0.46) HTR2AHTR2BHTR2CIDO1SIGMAR1
SCHEMBL17831295 0.79 HTR2A (0.46) HTR2AHTR2BHTR2CIDO1SIGMAR1
SCHEMBL17831296 0.79 HTR2A (0.46) HTR2AHTR2BHTR2CIDO1SIGMAR1
SCHEMBL18625839 0.79 HTR2A (0.46) HTR2AHTR2BHTR2CIDO1SIGMAR1
SCHEMBL13451566 0.79 HTR2A (0.70) HTR2AHTR2BHTR2CIDO1SIGMAR1
SCHEMBL7353330 0.79 HTR2A (0.46) HTR2AHTR2BHTR2CIDO1SIGMAR1
SCHEMBL2329086 0.79 ALDH1A1 (0.47) HTR2AHTR2BHTR2CIDO1DAO
SCHEMBL45261 0.77 HMGCR (0.46) HTR2AHTR2BHTR2CTACR1RXRA

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
EP-1829883-B1 ORGANIC BISMUTH COMPOUND, METHOD FOR PRODUCING SAME, LIVING RADICAL POLYMERIZATION INITIATOR, METHOD FOR PRODUCING POLYMER USING SAME, AND POLYMER OTSUKA CHEMICAL CO LTD (JP) 2011-08-17 EP disclosed
US-7847043-B2 Organic bismuth compound, method for producing same, living radical polymerization initiator, method for producing polymer using same, and polymer OTSUKA CHEMICAL CO., LTD. (JP) 2010-12-07 US disclosed
US-20070265404-A1 Organic Bismuth Compound, Method for Producing Same, Living Radical Polymerization Initiator, Method for Producing Polymer Using Same, and Polymer OTSUKA CHEMICAL CO., LTD. (JP) 2007-11-15 US disclosed
EP-1829883-A1 ORGANIC BISMUTH COMPOUND, METHOD FOR PRODUCING SAME, LIVING RADICAL POLYMERIZATION INITIATOR, METHOD FOR PRODUCING POLYMER USING SAME, AND POLYMER Otsuka Chemical Co., Ltd. (JP) 2007-09-05 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 (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-20070265404-A1 Organic Bismuth Compound, Method for Producing Same, Living Radical Polymerization Initiator, Method for Producing Polymer Using Same, and Polymer DOHH, COASY, ODC1 HTR2A 4703/4885HTR2B 3974/4885HTR2C 4645/4885

“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.