SCHEMBL2323723

SCHEMBL2323723

CC(C)(C)c1ccc([S+](Cc2ccccc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ESRRG P62508 1/20 0.38
BMP1 P13497 1/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
EGFR P00533 1/20 0.37
TSHR P16473 1/20 0.37
KDM1A O60341 1/20 0.36
SLC6A2 P23975 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1127586 0.79 TSHR (0.46) ALDH1A1TSHRTAAR1TP53SMN1; SMN2
SCHEMBL9003631 0.77 MEN1 (0.30) ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL1042662 0.77 TSHR (0.43) ALDH1A1TSHRTAAR1TP53SMN1; SMN2
SCHEMBL30958877 0.74 ESRRG (0.40) RAB9ALMNANPC1ALDH1A1ESRRG
SCHEMBL9003539 0.74 SIGMAR1 (0.44) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL12411042 0.73 TSHR (0.44) RAB9ALMNANPC1ALDH1A1TSHR
SCHEMBL6547537 0.73 RAB9A (0.56) RAB9ALMNANPC1ALDH1A1ESRRG
SCHEMBL107752 0.73 TSHR (0.44) RAB9ALMNANPC1ALDH1A1ESRRG
SCHEMBL244777 0.73 TSHR (0.44) RAB9ALMNANPC1ALDH1A1ESRRG
SCHEMBL3452699 0.73 CALM1 (0.57) RAB9ALMNANPC1ALDH1A1ESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356182-B1 RADIATION CURABLE COATING MATERIALS BASF SE (DE) 2015-05-06 EP disclosed
US-20130299736-A1 RADIATION-CURABLE COATING MATERIALS BASE SE (DE) 2013-11-14 US disclosed
US-20110230617-A1 RADIATION-CURABLE COATING MATERIALS BASF SE (DE) 2011-09-22 US disclosed
EP-2356182-A1 RADIATION CURABLE COATING MATERIALS BASF SE (DE) 2011-08-17 EP disclosed
US-20100126386-A1 RADIATION-CURABLE COATING SUBSTANCES BASF AKTIENGESELLSCHAFT (DE) 2010-05-27 US disclosed
WO-2010055050-A1 RADIATION CURABLE COATING MATERIALS BASF SE (DE) 2010-05-20 WO disclosed
WO-2008058885-A2 RADIATION-HARDENABLE COATING MASSES BASF SE (DE) 2008-05-22 WO disclosed
WO-2007138095-A1 USE OF STABILIZING COMPOSITIONS CONTAINING CYANINE CATIONS IN PACKAGING MATERIALS BASF SE (DE) 2007-12-06 WO disclosed
EP-1820064-A2 RADIATION-CURABLE COATING SUBSTANCES BASF AKTIENGESELLSCHAFT (DE) 2007-08-22 EP disclosed
WO-2006058731-A2 RADIATION-CURABLE COATING SUBSTANCES BASF AKTIENGESELLSCHAFT (DE) 2006-06-08 WO disclosed
US-6110987-A CURED PRODUCTS HAVING AN EXCELLENT APPEARANCE WITHOUT COLORING CAUSED BY POLYMERIZATION INITIATOR SHOWA DENKO K.K. (JP) 2000-08-29 US disclosed
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 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-20110230617-A1 RADIATION-CURABLE COATING MATERIALS RAD51, MGMT, RAD54L RAB9A 1455/4885LMNA 1798/4885NPC1 1213/4885

“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.