SCHEMBL3594946

SCHEMBL3594946

CCCCCCOc1[c]cccc1OCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MCHR1 Q99705 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TLR8 Q9NR97 2/20 0.40
NR5A1 Q13285 1/20 0.40
TSHR P16473 1/20 0.39
LTA4H P09960 1/20 0.39

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
SCHEMBL18422247 1.00 MEN1 (0.46) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL1451594 1.00 MEN1 (0.46) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL6050397 1.00 MEN1 (0.46) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL677748 0.98 CYP1A2 (0.44) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL677482 0.93 CYP1A2 (0.50) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL6050423 0.91 MEN1 (0.40) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL1404339 0.87 MCHR1 (0.39) MEN1LMNACHRM2MAPTHTR2B
SCHEMBL8166039 0.85 CYP1A2 (0.45) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL11375442 0.83 CYP1A2 (0.43) MAPTMCHR1CYP1A2CYP2C9CYP2C19
SCHEMBL15410684 0.83 NR5A1 (0.40) MEN1NR1I2LMNACHRM2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124552-B1 TRANS-DISUBSTITUTED BENZODIAZAPORPHYRINS AS SENSITIZERS FOR SOLAR CELLS UNIV NANTES (FR) 2018-04-11 EP disclosed
WO-2017017118-A1 TRANS-DISUBSTITUTED BENZODIAZAPORPHYRINS AS SENSITIZERS FOR SOLAR CELLS UNIVERSITE DE NANTES (FR) 2017-02-02 WO disclosed
EP-3124552-A1 TRANS-DISUBSTITUTED BENZODIAZAPORPHYRINS AS SENSITIZERS FOR SOLAR CELLS Université de Nantes (FR) 2017-02-01 EP disclosed
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
EP-0510449-B1 Acid-cleavable compounds, positive-working radiation-sensitive composition containing the same and radiation-sensitive recording material prepared therefrom CLARIANT GMBH (DE) 1998-08-05 EP disclosed
EP-0510449-A2 Acid-cleavable compounds, positive-working radiation-sensitive composition containing the same and radiation-sensitive recording material prepared therefrom HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-28 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 MEN1 1975/4885NR1I2 1936/4885LMNA 3792/4885
US-20080039511-A1 Thiazole Compound and Use Thereof PDE3B, PDE3A, PDE4A MEN1 2252/4885NR1I2 2212/4885LMNA 2248/4885

“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.