SCHEMBL3597737

SCHEMBL3597737

CCCCCCOc1[c]c(OCCCCCC)ccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
NR5A1 Q13285 1/20 0.46
LTA4H P09960 1/20 0.44
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MCHR1 Q99705 1/20 0.41
RARB P10826 3/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMPD1 P17405 3/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL5983957 1.00 TSHR (0.49) TSHRNR5A1LTA4HLMNAALDH1A1
SCHEMBL1451918 1.00 TSHR (0.49) TSHRNR5A1LTA4HLMNAALDH1A1
SCHEMBL677039 0.98 TSHR (0.46) TSHRNR5A1LTA4HLMNAALDH1A1
SCHEMBL677726 0.91 LTA4H (0.45) TSHRNR5A1LTA4HALDH1A1MCHR1
SCHEMBL11589552 0.90 SMN1; SMN2 (0.41) TSHRNR5A1LTA4HLMNAALDH1A1
SCHEMBL27581581 0.87 NR5A1 (0.47) TSHRNR5A1LTA4HLMNAALDH1A1
SCHEMBL185541 0.85 KMT2A (0.39) TSHRLTA4HLMNAALDH1A1MCHR1
SCHEMBL3469015 0.83 TSHR (0.40) TSHRNR5A1LTA4HLMNAALDH1A1
SCHEMBL11511957 0.82 KCNH2 (0.41) TSHRNR5A1LTA4HLMNAALDH1A1
SCHEMBL27660871 0.80 LTA4H (0.40) TSHRNR5A1LTA4HALDH1A1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102816130-B Thiazole compound and use thereof OTSUKA PHARMA CO LTD 2015-05-06 CN disclosed
US-8450352-B2 Thiazole compounds and their use for inhibiting phosphodiesterase 4, TNF-α, and IL-4 OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-05-28 US disclosed
US-20100094002-A1 Thiazole Compound and Use Thereof OTSUKA PHARMACEUTICAL CO., LTD. 2010-04-15 US disclosed
US-7655680-B2 (E)-3-[2-(3,4-diethoxyphenyl)thiazole-4-yl]-1-(2-methoxyphenyl)propenone; inhibiting the activity of phosphodiesterase 4, the production of tumor necrosis factor alpha, and the production of interleukin 4; atopic dermatitis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-02 US disclosed
US-20080039511-A1 Thiazole Compound and Use Thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 US disclosed
EP-1748044-A1 THIAZOLE COMPOUND AND USE THEREOF Otsuka Pharmaceutical Company, Limited (JP) 2007-01-31 EP 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-20100094002-A1 Thiazole Compound and Use Thereof PDE3B, IL4, PDE4A TSHR 1124/4885NR5A1 833/4885LTA4H 86/4885
US-20080039511-A1 Thiazole Compound and Use Thereof PDE3B, PDE3A, PDE4A TSHR 1497/4885NR5A1 1561/4885LTA4H 428/4885

“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.