SCHEMBL4085684

SCHEMBL4085684

CC(C)(C)Oc1cccc([S+](c2ccccc2)c2cccc(OC(C)(C)C)c2)c1.CC(C)(C)Oc1cccc([S+](c2ccccc2)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
CETP P11597 1/20 0.34
CA4 P22748 1/20 0.32
CYP3A4 P08684 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
LTA4H P09960 1/20 0.30
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL246752 1.00 KIF11 (0.40) KIF11CETPCA4CYP3A4PPARG
SCHEMBL244494 1.00 KIF11 (0.40) KIF11CETPCA4CYP3A4PPARG
SCHEMBL29827873 1.00 KIF11 (0.40) KIF11CETPCA4CYP3A4PPARG
Hydrochloric Acid SCHEMBL6760310 0.98 KIF11 (0.39) KIF11CETPCA4CYP3A4PPARG
SCHEMBL5415682 0.95 KIF11 (0.41) KIF11CETPPPARGPPARA
SCHEMBL244014 0.94 KIF11 (0.40) KIF11CETPCYP3A4KDM4EMEN1
SCHEMBL29515905 0.94 KIF11 (0.40) KIF11CETPCYP3A4KDM4EMEN1
SCHEMBL3181992 0.87 KIF11 (0.38) KIF11
SCHEMBL8317614 0.87 PPARG (0.33) KIF11CETPPPARGPPARA
Trifluoromethanesulfonic Acid SCHEMBL6762567 0.85 GPR3 (0.35) KIF11CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7527912-B2 Photoacid generators, resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-05-05 US disclosed
US-20080085469-A1 Novel photoacid generators, resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2008-04-10 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 (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-20080085469-A1 Novel photoacid generators, resist compositions, and patterning process RER1, SCO2, ASIC3 KIF11 4152/4885CETP 4744/4885CA4 690/4885

“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.