SCHEMBL4253532

SCHEMBL4253532

CC(C)c1cc(I)c(C(C)C)cc1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.48
GABRB1 P18505 4/20 0.48
GABRB2 P47870 4/20 0.48
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
LMNA P02545 4/20 0.34
SLC6A2 P23975 2/20 0.33
HTR2B P41595 2/20 0.33
FAAH O00519 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRG2 P18507 1/20 0.33
PTGS1 P23219 1/20 0.33
HTR2C P28335 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 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
SCHEMBL24034824 0.87 GABRA1 (0.39) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL24869455 0.84 GABRA1 (0.38) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL29714137 0.77 UGT2B7 (0.42) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL10304872 0.75 GABRA1 (0.40) GABRA1GABRB1GABRB2LMNA
SCHEMBL13818840 0.75 GABRA1 (0.50) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL14117452 0.75 GABRA1 (0.39) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL16860570 0.75 GABRA1 (0.44) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL20150139 0.75 GABRA1 (0.39) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL21035429 0.74 CYP3A4 (0.37) GABRA1GABRB1GABRB2SLC6A2CYP1A2
SCHEMBL13368905 0.73 TRPA1 (0.56) GABRA1GABRB1GABRB2LMNASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834598-B2 Dielectric copolymer materials MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
WO-2023161168-A1 AROMATIC HETREOCYCLES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-08-31 WO disclosed
US-20210355381-A1 DIELECTRIC COPOLYMER MATERIALS MERCK PATENT GMBH (DE) 2021-11-18 US disclosed
US-20210355383-A1 DIELECTRIC COPOLYMER MATERIALS MERCK PATENT GMBH (DE) 2021-11-18 US disclosed
US-8822633-B2 High bandgap arylene polymers SUMITOMO CHEMICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-8822633-B2 High bandgap arylene polymers SUMITOMO CHEMICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-8822633-B2 High bandgap arylene polymers SUMITOMO CHEMICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-20090036622-A1 High Bandgap Arylene Polymers SUMATION CO. LIMITED (JP) 2009-02-05 US disclosed
US-20090036622-A1 High Bandgap Arylene Polymers SUMATION CO. LIMITED (JP) 2009-02-05 US disclosed
US-20090036622-A1 High Bandgap Arylene Polymers SUMATION CO. LIMITED (JP) 2009-02-05 US disclosed
WO-2006091799-A2 HIGH BANDGAP ARYLENE POLYMERS SUMATION CO. LTD. (JP) 2006-08-31 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-20090036622-A1 High Bandgap Arylene Polymers PARG, PCBP1, PARN GABRA1 1175/4885GABRB1 929/4885GABRB2 580/4885

“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.