SCHEMBL17218409

SCHEMBL17218409

CCCC/[C]=N/OCc1ccc(CC)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
TP53 P04637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SHBG P04278 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSPD1 P10809 1/20 0.31
ADRB3 P13945 1/20 0.31
HTR2C P28335 1/20 0.31
HSPE1 P61604 1/20 0.31

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
SCHEMBL17218413 1.00 CYP2A6 (0.33) CYP2A6RXRARXRBESR1ADRA2A
SCHEMBL17217487 0.89 CYP2A6 (0.35) CYP2A6RXRARXRBTP53ALDH1A1
SCHEMBL17217489 0.89 CYP2A6 (0.35) CYP2A6RXRARXRBTP53ALDH1A1
SCHEMBL17219110 0.88 AGXT (0.40)
SCHEMBL17219111 0.88 AGXT (0.40)
SCHEMBL17215835 0.87 KCNH2 (0.41) ALDH1A1
SCHEMBL17218420 0.87 IDO1 (0.44)
SCHEMBL17219271 0.87 PSMD14 (0.40)
SCHEMBL17218423 0.87 IDO1 (0.44)
SCHEMBL17215836 0.87 KCNH2 (0.41) ALDH1A1

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 CYP2A6 471/4885RXRA 1373/4885RXRB 1771/4885

“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.