SCHEMBL1002886

SCHEMBL1002886

CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.F[B-](F)(F)F.c1ccc([I+]c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
TSHR P16473 1/20 0.38
RAB9A P51151 4/20 0.38
LMNA P02545 2/20 0.38
TYR P14679 1/20 0.37
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KIF11 P52732 2/20 0.35
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
SLC22A3 O75751 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SRD5A2 P31213 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
NPC1 O15118 2/20 0.33
ABCG2 Q9UNQ0 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
SCHEMBL1002888 1.00 KDM1A (0.41) KDM1ATSHRRAB9ALMNATYR
SCHEMBL30540408 1.00 KDM1A (0.41) KDM1ATSHRRAB9ALMNATYR
SCHEMBL30540411 1.00 KDM1A (0.41) KDM1ATSHRRAB9ALMNATYR
Biphenyl SCHEMBL1360421 0.92 KIF11 (0.41) KDM1ATSHRLMNATYRMAPT
SCHEMBL425907 0.92 KDM1A (0.45) KDM1ATSHRRAB9ALMNATYR
SCHEMBL374593 0.92 TSHR (0.44) TSHRRAB9ALMNATYRMAPT
SCHEMBL30999463 0.90 TSHR (0.42) TSHRRAB9ALMNATYRMAPT
Hydrochloric Acid SCHEMBL5360882 0.90 KDM1A (0.44) KDM1ATSHRRAB9ALMNATYR
SCHEMBL30445784 0.85 KDM1A (0.39) KDM1ATSHRRAB9ALMNATYR
SCHEMBL1001860 0.83 KDM1A (0.35) KDM1ATSHRRAB9ALMNATYR

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3438134-B1 POLYMERIZABLE COMPOSITION, CURED OBJECT, OPTICAL FILM FOR DISPLAY, AND PROCESS FOR PRODUCING CURED OBJECT ADEKA CORP (JP) 2021-05-05 EP disclosed
EP-3438134-A1 POLYMERIZABLE COMPOSITION, CURED OBJECT, OPTICAL FILM FOR DISPLAY, AND PROCESS FOR PRODUCING CURED OBJECT Adeka Corporation (JP) 2019-02-06 EP disclosed
EP-2098544-B1 POLYMERIZABLE COMPOUNDS AND POLYMERIZABLE COMPOSITIONS ADEKA CORP (JP) 2016-12-14 EP disclosed
US-20160011349-A1 INFRARED REFLECTING FILM AND LAMINATED FILM JNC PETROCHEMICAL CORPORATION (JP) 2016-01-14 US disclosed
US-9057018-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and polymer thereof JNC CORPORATION (JP) 2015-06-16 US disclosed
EP-2110390-B1 POLYMERIZABLE COMPOSITION ADEKA CORP (JP) 2014-07-02 EP disclosed
US-8455061-B2 Optically active compound having polymerizable group and its polymer JNC CORPORATION (JP) 2013-06-04 US disclosed
EP-2119701-B1 POLYMERIZABLE OPTICALLY-ACTIVE COMPOUND, AND POLYMERIZABLE COMPOSITION COMPRISING THE POLYMERIZABLE OPTICALLY-ACTIVE COMPOUND ADEKA CORP (JP) 2013-05-29 EP disclosed
EP-2067796-B1 POLYMERIZABLE COMPOUND AND POLYMERIZABLE COMPOSITION ADEKA CORP (JP) 2013-05-29 EP disclosed
EP-2130843-B1 POLYMERIZABLE COMPOUNDS AND POLYMERIZABLE COMPOSITIONS ADEKA CORP (JP) 2013-05-22 EP disclosed
US-7300604-B2 Tetrahydroxybenzene tetraester derivative and polymer thereof CHISSO CORPORATION (JP) 2007-11-27 US disclosed
US-20070190344-A1 Verification of translation JNC CORPORATION (JP) 2007-08-16 US disclosed
US-20070134440-A1 Lateral oxirane compound and polymer thereof CHISSO CORPORATION 2007-06-14 US disclosed
US-7101595-B2 Photo-curable fluorene derivative and composition containing the same CHISSO CORPORATION (JP) 2006-09-05 US disclosed
US-20060180791-A1 Tetrahydroxybenzene tetraester derivative and polymer thereof CHISSO CORPORATION 2006-08-17 US disclosed
US-20060006364-A1 Fluorene derivatives and polymers thereof CHISSO CORPORATION AND CHISSO PETROCHEMICAL CORPORATION 2006-01-12 US disclosed
US-20050224757-A1 Photopolymerizable oxetane derivative and liquid-crystal composition containing it JNC PETROCHEMICAL CORPORATION (JP) 2005-10-13 US disclosed
US-20050213009-A1 Photopolymerizable liquid crystal composition, its polymer or polymer composition, and optical compensation element JNC PETROCHEMICAL CORPORATION (JP) 2005-09-29 US disclosed
US-20050031801-A1 Photo-curable fluorene derivative and composition containing the same JNC PETROCHEMICAL CORPORATION (JP) 2005-02-10 US disclosed
US-20050009982-A1 Compound having silsesquioxane skeleton and its polymer CHISSO CORPORATION (JP) 2005-01-13 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 (3 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-20060180791-A1 Tetrahydroxybenzene tetraester derivative and polymer thereof TELO2, TTI1, CYP1B1 KDM1A 214/4885TSHR 3910/4885RAB9A 3301/4885
US-20050009982-A1 Compound having silsesquioxane skeleton and its polymer C1S, H1-4, H1-0 KDM1A 85/4885TSHR 4554/4885RAB9A 3407/4885
US-20050224757-A1 Photopolymerizable oxetane derivative and liquid-crystal composition containing it TAC3, CPNE4, CNPY3 KDM1A 2592/4885TSHR 4564/4885RAB9A 2545/4885

“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.