SCHEMBL5520918

SCHEMBL5520918

CCCC(C)COCCC(C)CCO

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
EPHX2 P34913 1/20 0.35
USP2 O75604 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
SCHEMBL2367874 0.85 TSHR (0.48) HSD17B10TSHRTDP1ALDH1A1EPHX2
SCHEMBL2368148 0.82 MEN1 (0.47) HSD17B10TSHRTDP1ALDH1A1EPHX2
SCHEMBL12890311 0.82 TSHR (0.52) HSD17B10TSHRALDH1A1EPHX2USP2
SCHEMBL11445081 0.82 TSHR (0.52) HSD17B10TSHRALDH1A1EPHX2USP2
SCHEMBL31602059 0.82 MEN1 (0.47) HSD17B10TSHRTDP1ALDH1A1EPHX2
SCHEMBL3122161 0.81 ALDH1A1 (0.34) HSD17B10TDP1ALDH1A1ALOX15
SCHEMBL20842923 0.80 HSD17B10 (0.39) HSD17B10TSHRTDP1EPHX2
SCHEMBL8013962 0.80
SCHEMBL497428 0.80
SCHEMBL8008044 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135520-A1 Cis-trans isomerisation of semicarbazone compounds BASF AKTIENGESELLSCHAFT (DE) 2007-06-14 US disclosed
US-7135491-B2 5-Aryltetrazole compounds and uses thereof INOTEK PHARMACEUTICALS CORP. (US) 2006-11-14 US disclosed
US-7087631-B2 Aryltetrazole compounds, and compositions thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2006-08-08 US disclosed
US-20060135519-A2 5-ARYLTETRAZOLE COMPOUNDS AND COMPOSITIONS THEREOF NIVOROZHKIN ALEXANDER 2006-06-22 US disclosed
US-20050159418-A1 5-Aryltetrazoles compounds and compositions thereof NIVOROZHKIN ALEX (US) 2005-07-21 US disclosed
US-20050159467-A1 5-Aryltetrazole compounds and uses thereof NIVOROZHKIN ALEX (US) 2005-07-21 US disclosed
EP-1542980-A1 5-ARYLTETRAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND USES THEREFOR Inotek Pharmaceuticals Corporation (US) 2005-06-22 EP disclosed
US-20040116423-A1 5-Aryltetrazole compounds, compositions thereof, and uses therefor INOTEK PHARMACEUTICALS CORPORATION 2004-06-17 US disclosed
WO-2004009563-A1 5-ARYLTETRAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND USES THEREFOR INOTEK PHARMACEUTICALS CORPORATION (US) 2004-01-29 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 (4 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-20060135519-A2 5-ARYLTETRAZOLE COMPOUNDS AND COMPOSITIONS THEREOF CASP5, NOX5, IL5 HSD17B10 885/4885TSHR 2774/4885TDP1 1456/4885
US-20070135520-A1 Cis-trans isomerisation of semicarbazone compounds SLC16A1, SLC16A3, PIN1 HSD17B10 1238/4885TSHR 2257/4885TDP1 4374/4885
US-20050159467-A1 5-Aryltetrazole compounds and uses thereof NLRP3, XDH, CASP5 HSD17B10 703/4885TSHR 2226/4885TDP1 1263/4885
US-20050159418-A1 5-Aryltetrazoles compounds and compositions thereof NLRP3, CASP5, CASP3 HSD17B10 603/4885TSHR 2648/4885TDP1 1579/4885

“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.