SCHEMBL17215938

SCHEMBL17215938

CCCCCCON=CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.35
LMNA P02545 2/20 0.34
THRB P10828 2/20 0.33
HTT P42858 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
LPAR1 Q92633 2/20 0.32
LPAR3 Q9UBY5 2/20 0.32
LPAR2 Q9HBW0 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL17217979 0.98 DNM1 (0.32) DNM1LMNATHRBHTTSPHK1
SCHEMBL17219052 0.91 ADRB2 (0.33) THRBTSHR
SCHEMBL17218866 0.82
SCHEMBL28155120 0.78 TSHR (0.40) DNM1THRBHTTTSHRMEN1
SCHEMBL16760861 0.78 TSHR (0.40) DNM1THRBHTTTSHRMEN1
SCHEMBL5958124 0.76 THRB (0.38) THRBHTTTSHRMEN1KMT2A
SCHEMBL16760855 0.75 LPAR1 (0.35) THRBHTTTSHRMEN1KMT2A
SCHEMBL6958693 0.75 CHRM2 (0.33) TSHRMEN1KMT2A
SCHEMBL17216773 0.74 THRB (0.40) THRBHTTTSHRUSP2MEN1
SCHEMBL6571639 0.74 TSHR (0.36) THRBHTTTSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2940012-B1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL CO (JP) 2019-01-30 EP disclosed
US-9560850-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 US disclosed
US-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 US disclosed
EP-2940012-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF Sumitomo Chemical Company Limited (JP) 2015-11-04 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 (1 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-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF RTN3, CYP51A1, TCOF1 DNM1 2625/4885LMNA 2406/4885THRB 134/4885

“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.