SCHEMBL1612359

SCHEMBL1612359

CC[CH]c1ccc(C)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.41
ALDH1A1 P00352 6/20 0.39
PTGS1 P23219 5/20 0.38
PTGS2 P35354 5/20 0.38
ALOX5 P09917 4/20 0.38
ALDH1A3 P47895 3/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
CYP2A6 P11509 1/20 0.33
TSHR P16473 1/20 0.32
ALDH3A1 P30838 1/20 0.32

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
SCHEMBL1611617 0.86 TUBB1 (0.39) TUBB1ALDH1A1PTGS1PTGS2ALOX5
SCHEMBL1610157 0.82 TUBB1 (0.37) TUBB1ALDH1A1PTGS1PTGS2ALOX5
SCHEMBL1609646 0.81 CNR1 (0.37) TUBB1ALDH1A1PTGS1PTGS2ALOX5
SCHEMBL9421133 0.79 TUBB1 (0.46) TUBB1ALDH1A1PTGS1PTGS2ALOX5
SCHEMBL5837450 0.79 TUBB1 (0.46) TUBB1ALDH1A1PTGS1PTGS2ALOX5
SCHEMBL27875847 0.79 ALDH1A1 (0.40) ALDH1A1PTGS1PTGS2ALOX5ALDH1A3
SCHEMBL1610718 0.79 CNR1 (0.36) TUBB1PTGS1PTGS2ALOX5TSHR
SCHEMBL1611000 0.79 CNR1 (0.36) TUBB1PTGS1PTGS2ALOX5TSHR
SCHEMBL16958501 0.78 HTT (0.42) TUBB1ALDH1A1PTGS1PTGS2ALOX5
Alcohol SCHEMBL28361987 0.78 ALDH1A1 (0.44) TUBB1ALDH1A1PTGS2ALDH1A3TDP1

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
EP-1558574-A4 NOVEL N-HYDROXY THIOUREA, UREA AND AMIDE COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME DIGITAL BIOTECH CO LTD (KR) 2006-06-21 EP claimed
US-20050288369-A1 Novel n-hydroxy thiourea, urea and amide compounds and the pharmaceutical compositions comprising the same DIGITAL BIOTECH CO., LTD. (KR) 2005-12-29 US claimed
EP-1558574-A1 NOVEL N-HYDROXY THIOUREA, UREA AND AMIDE COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Digital Biotech Co., Ltd. (KR) 2005-08-03 EP claimed
WO-2004035533-A1 NOVEL N-HYDROXY THIOUREA, UREA AND AMIDE COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME DIGITAL BIOTECH CO., LTD. (KR) 2004-04-29 WO claimed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
EP-1558574-A4 NOVEL N-HYDROXY THIOUREA, UREA AND AMIDE COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME DIGITAL BIOTECH CO LTD (KR) 2006-06-21 EP disclosed
US-20050288369-A1 Novel n-hydroxy thiourea, urea and amide compounds and the pharmaceutical compositions comprising the same DIGITAL BIOTECH CO., LTD. (KR) 2005-12-29 US disclosed
EP-1558574-A1 NOVEL N-HYDROXY THIOUREA, UREA AND AMIDE COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Digital Biotech Co., Ltd. (KR) 2005-08-03 EP disclosed
WO-2004035533-A1 NOVEL N-HYDROXY THIOUREA, UREA AND AMIDE COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME DIGITAL BIOTECH CO., LTD. (KR) 2004-04-29 WO 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 (2 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-20050288369-A1 Novel n-hydroxy thiourea, urea and amide compounds and the pharmaceutical compositions comprising the same HRH2, HRH4, NMUR2 TUBB1 3707/4885ALDH1A1 1397/4885PTGS1 67/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 TUBB1 2607/4885ALDH1A1 137/4885PTGS1 1595/4885

“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.