SCHEMBL17217146

SCHEMBL17217146

Cc1ccccc1CON=CC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
MAOB P27338 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
KMT2A Q03164 3/20 0.34
CYP2A13 Q16696 1/20 0.34
GAA P10253 1/20 0.34
SSTR4 P31391 1/20 0.34
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NOTUM Q6P988 1/20 0.33
CTBP2 P56545 1/20 0.33

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
SCHEMBL17217314 0.81 IDO1 (0.47) MAOBTAAR1KMT2ALMNAALDH1A1
SCHEMBL17215798 0.81 KMT2A (0.49) MAOBTAAR1KMT2AHPGDALDH1A1
SCHEMBL17217657 0.79 IDO1 (0.51) TAAR1KMT2AGAAHPGDLMNA
SCHEMBL17218771 0.79 TAAR1 (0.41) CDK4CCND1MAOBTAAR1ADRA2A
SCHEMBL17218275 0.78 BACE1 (0.34) KMT2AALDH1A1
SCHEMBL17218488 0.78 IDO1 (0.53) MAOBLMNA
SCHEMBL17218729 0.77 TAAR1 (0.40) CDK4CCND1MAOBTAAR1ADRA2A
SCHEMBL17218460 0.77 RAB9A (0.53) MAOBKMT2AGAAALDH1A1
SCHEMBL17218432 0.77 KMT2A (0.30) KMT2A
SCHEMBL17216694 0.76 KMT2A (0.39) CDK4CCND1MAOBTAAR1ADRA2A

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 CDK4 1910/4885CCND1 1192/4885MAOB 3611/4885

“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.