SCHEMBL17217588

SCHEMBL17217588

CCO/N=C(/C)c1ccc(O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PTBP1 P26599 1/20 0.41
ESR1 P03372 8/20 0.41
ESR2 Q92731 6/20 0.41
AR P10275 3/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL15851161 1.00 NPC1 (0.48) NPC1GAARAB9ALMNAMEN1
SCHEMBL16202057 0.86 PPARG (0.51) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL15851190 0.84 SMN1; SMN2 (0.46) NPC1GAARAB9ALMNAMEN1
SCHEMBL17215865 0.84 ESR1 (0.51) ESR1ESR2ARPPARGPPARA
SCHEMBL15851080 0.84 ESR1 (0.51) ESR1ESR2ARPPARGPPARA
SCHEMBL17218743 0.84 SMN1; SMN2 (0.46) NPC1GAARAB9ALMNAMEN1
SCHEMBL15851107 0.83 HSP90AA1 (0.47) NPC1RAB9ALMNASMN1; SMN2PTBP1
SCHEMBL17219269 0.83 HSP90AA1 (0.47) NPC1RAB9ALMNASMN1; SMN2PTBP1
SCHEMBL17217126 0.81 RAB9A (0.39) NPC1GAARAB9ALMNAMEN1
SCHEMBL15851072 0.81 RAB9A (0.39) NPC1GAARAB9ALMNAMEN1

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 NPC1 1841/4885GAA 4457/4885RAB9A 399/4885

“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.