SCHEMBL4410697

SCHEMBL4410697

CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.34
CA1 P00915 8/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MAOB P27338 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
MAPT P10636 1/20 0.31
HSD11B1 P28845 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM2B Q8NHM5 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
SCHEMBL5405592 0.99 CA2 (0.35) CA2CA1NPC1RAB9ALMNA
SCHEMBL3759051 0.95 CA1 (0.33) CA2CA1NPC1RAB9ALMNA
SCHEMBL6567842 0.86 EEF2K (0.30)
SCHEMBL114859 0.86 ALDH1A1 (0.39) CA2CA1NPC1RAB9ALMNA
SCHEMBL3755831 0.85 CA1 (0.36) CA2CA1NPC1RAB9ALMNA
SCHEMBL8038207 0.85 ALDH1A1 (0.38) CA2CA1NPC1RAB9ALMNA
SCHEMBL448974 0.85 ALDH1A1 (0.38) CA2CA1NPC1RAB9ALMNA
SCHEMBL548591 0.83 KIF11 (0.38) CA2CA1
Sulfuric Acid SCHEMBL2920577 0.82 NPC1 (0.41) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL7570325 0.82 ALDH1A1 (0.36) CA2CA1NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090317741-A1 COMPOUND, ACID GENERATOR, RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2009-12-24 US disclosed
US-7312014-B2 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2007-12-25 US disclosed
US-20040170918-A1 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2004-09-02 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-20090317741-A1 COMPOUND, ACID GENERATOR, RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN C1R, H1-2, H1-0 CA2 66/4885CA1 207/4885NPC1 3046/4885

“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.