SCHEMBL17614547

SCHEMBL17614547

COc1ccc(-c2cccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
FFAR1 O14842 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TSHR P16473 4/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
COMT P21964 1/20 0.37
BRD4 O60885 1/20 0.37
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ABL1 P00519 1/20 0.37
ABCB1 P08183 1/20 0.37
BCR P11274 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL16206146 0.95 SLC22A12 (0.42) PTGER4SLC22A12FFAR1HDAC4HDAC8
SCHEMBL16206150 0.92 SLC22A12 (0.41) PTGER4SLC22A12FFAR1TSHRMAPT
SCHEMBL16205967 0.92 SLC22A12 (0.42) PTGER4SLC22A12FFAR1ALDH1A1NPSR1
SCHEMBL16206007 0.91 CHRNB1 (0.41) SLC22A12TSHRLMNARAB9AALDH1A1
SCHEMBL17615242 0.90 GRM5 (0.37) PTGER4HDAC4HDAC2HDAC8TSHR
SCHEMBL17615156 0.90 FFAR1 (0.41) PTGER4FFAR1HDAC4HDAC2HDAC8
SCHEMBL16206147 0.90 SLC22A12 (0.40) PTGER4SLC22A12FFAR1TSHRMAPT
SCHEMBL17614551 0.90 MRGPRX4 (0.43) PTGER4SLC22A12FFAR1MAPTNR1H4
SCHEMBL16206110 0.89 BRD4 (0.38) SLC22A12FFAR1HDAC4HDAC8TSHR
SCHEMBL17615395 0.89 FFAR1 (0.41) PTGER4SLC22A12FFAR1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed
US-9867372-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-16 US disclosed
US-9867372-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-16 US disclosed
US-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 US disclosed
US-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 US 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-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME MT-CO1, SOD1, MT-CO2 PTGER4 2169/4885SLC22A12 3344/4885FFAR1 1688/4885

“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.