SCHEMBL891539

SCHEMBL891539

Cc1cc(S)cc(C(C)(C)C)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.63
CYP2C19 P33261 4/20 0.63
CYP1A2 P05177 2/20 0.63
SMN1; SMN2 Q16637 7/20 0.52
CA2 P00918 4/20 0.52
ALDH1A1 P00352 4/20 0.52
POLB P06746 1/20 0.52
TYR P14679 1/20 0.52
CA1 P00915 2/20 0.48
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
GALR3 O60755 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSPA5 P11021 1/20 0.42
ALOX15 P16050 3/20 0.42
MAPT P10636 2/20 0.42
HPN P05981 1/20 0.42

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
SCHEMBL31196962 1.00 CYP2C9 (0.63) CYP2C9CYP2C19CYP1A2SMN1; SMN2CA2
SCHEMBL224048 0.86 CA2 (0.64) CYP2C9CYP2C19CYP1A2SMN1; SMN2CA2
SCHEMBL17309883 0.80 CA2 (0.50) CYP2C9CYP2C19CYP1A2SMN1; SMN2CA2
SCHEMBL3363047 0.78 CA1 (0.58) CYP2C9CYP2C19CYP1A2CA2ALDH1A1
SCHEMBL38838 0.77 SMN1; SMN2 (0.77) CYP2C9CYP2C19CYP1A2SMN1; SMN2CA2
SCHEMBL5318298 0.77 SMN1; SMN2 (0.77) CYP2C9CYP2C19CYP1A2SMN1; SMN2CA2
SCHEMBL29836296 0.77 CYP2C9 (0.68) CYP2C9CYP2C19CYP1A2SMN1; SMN2CA2
SCHEMBL2343165 0.77 CYP2C9 (1.00) CYP2C9CYP2C19CYP1A2SMN1; SMN2CA2
SCHEMBL4982793 0.77 CYP2C9 (0.68) CYP2C9CYP2C19CYP1A2SMN1; SMN2CA2
SCHEMBL29364506 0.77 SMN1; SMN2 (0.77) CYP2C9CYP2C19CYP1A2SMN1; SMN2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505255-B2 Thermal imaging members and methods ZINK HOLDINGS LLC 2016-11-29 US claimed
US-20150119237-A1 THERMAL IMAGING MEMBERS AND METHODS ZINK IMAGING, INC. (US) 2015-04-30 US claimed
US-8722574-B2 Thermal imaging members and methods ZINK IMAGING, INC. (US) 2014-05-13 US claimed
US-20130059726-A1 THERMAL IMAGING MEMBERS AND METHODS ZINK IMAGING, INC. 2013-03-07 US claimed
EP-2374853-A1 Cyanate ester-based pressure sensitive adhesive CORNERSTONE RESEARCH GROUP, INC. (US) 2011-10-12 EP claimed
US-20110080458-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS ZINK IMAGING, INC. 2011-04-07 US claimed
US-7829497-B2 Thermal imaging members and methods ZINK IMAGING, INC. (US) 2010-11-09 US claimed
US-7807607-B2 Color-forming compounds and use thereof in imaging members and methods ZINK IMAGING, INC. (US) 2010-10-05 US claimed
WO-2010075544-A1 NOVEL COLOR-FORMING COMPOUNDS AND USE THEREOF IN IMAGING MEMBERS AND METHODS ZINK IMAGING, INC. (US) 2010-07-01 WO claimed
US-20100137554-A1 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RESEARCH GROUP, INC. 2010-06-03 US claimed
US-20090137389-A1 NOVEL COLOR-FORMING COMPOUNDS AND USE THEREOF IN IMAGING MEMBERS AND METHODS ZINK IMAGING, INC. 2009-05-28 US claimed
JP-2008544877-A 2008-12-11 JP claimed
US-20080187866-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS ZINK IMAGING, LLC 2008-08-07 US claimed
EP-1879750-A2 THERMAL IMAGING MEMBERS AND METHODS Zink Imaging, LLC (US) 2008-01-23 EP claimed
US-20060293185-A1 Thermal imaging members and methods ZINK IMAGING, LLC 2006-12-28 US claimed
WO-2006124560-A2 THERMAL IMAGING MEMBERS AND METHODS ZINK IMAGING, LLC (US) 2006-11-23 WO claimed
EP-1430310-A1 STABLE RADIOCHROMIC DOSIMETRY FILM AND PROCESS ISP INVESTMENTS INC. (US) 2004-06-23 EP claimed
US-20030129759-A1 Stable radiochromic dosimetry film and process ISP CAPITAL, INC. 2003-07-10 US claimed
WO-2003021276-A1 STABLE RADIOCHROMIC DOSIMETRY FILM AND PROCESS ISP INVESTMENTS, INC. (US) 2003-03-13 WO claimed
EP-0140297-A2 Thiocarbamic-acid esters as stabilizers CIBA-GEIGY AG (CH) 1985-05-08 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20080187866-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS CACYBP, KLHDC2, ZKSCAN2 CYP2C9 4315/4885CYP2C19 4671/4885CYP1A2 4341/4885
US-20130059726-A1 THERMAL IMAGING MEMBERS AND METHODS HEATR1, HEATR6, HSPBP1 CYP2C9 2774/4885CYP2C19 2788/4885CYP1A2 2299/4885
US-20150119237-A1 THERMAL IMAGING MEMBERS AND METHODS HEATR1, HEATR6, HSPBP1 CYP2C9 2774/4885CYP2C19 2788/4885CYP1A2 2299/4885
US-20090137389-A1 NOVEL COLOR-FORMING COMPOUNDS AND USE THEREOF IN IMAGING MEMBERS AND METHODS HCCS, RB1, CACYBP CYP2C9 3533/4885CYP2C19 3910/4885CYP1A2 3212/4885
US-20110080458-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS CACYBP, KLHDC2, ZKSCAN2 CYP2C9 4315/4885CYP2C19 4671/4885CYP1A2 4341/4885

“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.