SCHEMBL1155236

SCHEMBL1155236

CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
RAPGEF3 O95398 3/20 0.36
RAPGEF4 Q8WZA2 3/20 0.36
TRPV1 Q8NER1 1/20 0.34
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
TYR P14679 1/20 0.31
SCN5A Q14524 1/20 0.31
GRIN2B Q13224 1/20 0.31
PDE2A O00408 1/20 0.31
PPARG P37231 1/20 0.31
ICMT O60725 1/20 0.31
SLC22A2 O15244 1/20 0.30
SLC22A1 O15245 1/20 0.30
SLC22A3 O75751 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
SCHEMBL6387404 0.81 ALDH1A1 (0.41) KIF11TSHR
SCHEMBL374593 0.76 TSHR (0.44) KIF11TSHRLMNATYRSLC22A2
SCHEMBL41567 0.75 CES2 (0.44) KIF11RAPGEF4TSHRLMNAPDE2A
SCHEMBL70734 0.75 TSHR (0.52) KIF11TSHRLMNATYRSLC22A2
SCHEMBL12762156 0.75 TSHR (0.52) KIF11TSHRLMNATYRSLC22A2
SCHEMBL532790 0.75 TSHR (0.37) KIF11TSHRLMNATYRSLC22A2
SCHEMBL5415916 0.75 ALDH1A1 (0.41) KIF11TSHRLMNA
SCHEMBL3130125 0.75 KIF11 (0.37) KIF11RAPGEF3RAPGEF4TRPV1TSHR
SCHEMBL3136104 0.75 KIF11 (0.37) KIF11RAPGEF3RAPGEF4TRPV1TSHR
Tert-Butylamine SCHEMBL23802681 0.74 RAPGEF4 (0.37) RAPGEF4TSHRPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100039684-A1 SENSITIZER DYES FOR PHOTOACID GENERATING SYSTEMS USING SHORT VISIBLE WAVELENGTHS FORCETEC CO., LTD. (KR) 2010-02-18 US claimed
EP-2054770-A2 SENSITIZER DYES FOR PHOTOACID GENERATING SYSTEMS USING SHORT VISIBLE WAVELENGTHS STX Aprilis, Inc. (US) 2009-05-06 EP claimed
WO-2008021208-A2 SENSITIZER DYES FOR PHOTOACID GENERATING SYSTEMS USING SHORT VISIBLE WAVELENGTHS STX APRILIS, INC. (US) 2008-02-21 WO claimed
EP-1578870-A2 SENSITIZER DYES FOR PHOTOACID GENERATING SYSTEMS Aprilis, Inc. (US) 2005-09-28 EP claimed
WO-2004059389-A2 SENSITIZER DYES FOR PHOTOACID GENERATING SYSTEMS APRILIS, INC. (US) 2004-07-15 WO claimed
US-7892702-B2 Sensitizer dyes for photoacid generating systems FORCETEC CO., LTD. (KR) 2011-02-22 US disclosed
EP-2054770-A2 SENSITIZER DYES FOR PHOTOACID GENERATING SYSTEMS USING SHORT VISIBLE WAVELENGTHS STX Aprilis, Inc. (US) 2009-05-06 EP disclosed
US-20090042105-A1 Sensitizer dyes for photoacid generating systems DCE APRILIS, INC. (US) 2009-02-12 US disclosed
WO-2008021208-A2 SENSITIZER DYES FOR PHOTOACID GENERATING SYSTEMS USING SHORT VISIBLE WAVELENGTHS STX APRILIS, INC. (US) 2008-02-21 WO disclosed
US-20060019197-A1 Sensitizer dyes for photoacid generating systems APRILIS, INC. (US) 2006-01-26 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-20090042105-A1 Sensitizer dyes for photoacid generating systems HRH2, ALAD, HRH1 KIF11 4708/4885RAPGEF3 2771/4885RAPGEF4 2374/4885

“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.