SCHEMBL6682974

SCHEMBL6682974

CCC(C)c1ccccc1I

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
RORC P51449 1/20 0.36
HTT P42858 2/20 0.36
PKM P14618 1/20 0.35
GPR84 Q9NQS5 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 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
SCHEMBL23205864 1.00 TSHR (0.59) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL27458230 1.00 TSHR (0.59) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL994607 0.83 TSHR (0.73) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL25009948 0.80 TSHR (0.42) TSHRGABRA1GABRB2TRPA1
SCHEMBL4907203 0.79 TSHR (0.57) TSHRGABRA1GABRB2RORCHTT
Hydrogen Peroxide SCHEMBL3675725 0.78 TSHR (0.74) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL27599795 0.77 CSNK1E (0.37) TSHRGPR84MAPT
SCHEMBL830416 0.76 GABRA1 (0.36) TSHRGABRA1GABRB2
SCHEMBL944816 0.76 TSHR (0.64) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL6682973 0.76 TSHR (0.64) TSHRGABRA1GABRB2KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024144192-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DIODE USING SAME 솔루스첨단소재 주식회사 2024-07-04 WO disclosed
US-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NATIONAL SUN YAT-SEN UNIVERSITY 2009-06-25 US disclosed
US-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NATIONAL SUN YAT-SEN UNIVERSITY 2009-06-25 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 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-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NCOR2, OXGR1, NCOR1 TSHR 210/4885GABRA1 106/4885GABRB2 157/4885

“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.