SCHEMBL3603428

SCHEMBL3603428

CCCCCCOc1[c]cc(OCCCCCC)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.53
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
LTA4H P09960 3/20 0.47
PLA2G4B P0C869 1/20 0.46
RARB P10826 3/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC2A1 P11166 1/20 0.44

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
SCHEMBL5695326 1.00 NR5A1 (0.53) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL6679672 1.00 NR5A1 (0.53) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL3599892 0.98 NR5A1 (0.50) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL2677998 0.94 LTA4H (0.46) NR5A1TP53TSHRLTA4HGAA
SCHEMBL28224237 0.93 LTA4H (0.44) NR5A1TP53TSHRLTA4HGAA
SCHEMBL21268351 0.91 LTA4H (0.43) NR5A1TSHRLTA4HGAARAB9A
SCHEMBL7688412 0.90 NR5A1 (0.50) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL7690618 0.90 NR5A1 (0.46) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL21268379 0.87 NQO1 (0.46) NR5A1TP53TSHRLTA4HNPC1
SCHEMBL1404319 0.87 LTA4H (0.44) NR5A1LTA4HNPC1LMNAMAPT

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 NR5A1 833/4885TP53 1864/4885TSHR 1124/4885
US-20080039511-A1 Thiazole Compound and Use Thereof PDE3B, PDE3A, PDE4A NR5A1 1561/4885TP53 4605/4885TSHR 1497/4885

“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.