SCHEMBL19918741

SCHEMBL19918741

CCCCCCC(C)(CCCCCC)N1CCSCC1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ FDPS P14324 9/20 0.31
▸ GGPS1 O95749 5/20 0.31
▸ SMPD1 P17405 2/20 0.30

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
SCHEMBL23346883 0.79 FAAH (0.38) FAAHMGLLFDPSGGPS1
SCHEMBL18799294 0.76 ALOX5 (0.41) FAAHMGLLLMNA
SCHEMBL21922559 0.76 ALOX5 (0.41) FAAHMGLLLMNA
SCHEMBL19478707 0.75 ALOX5 (0.36) FAAHMGLLGGPS1
SCHEMBL26946782 0.75 ALOX5 (0.40) FAAHMGLLLMNA
SCHEMBL26946645 0.75 ALOX5 (0.40) FAAHMGLLLMNA
SCHEMBL26794748 0.74 GNAO1 (0.37) FAAHMGLL
SCHEMBL21602285 0.74 ALOX5 (0.36) FAAHMGLL
SCHEMBL22210770 0.73 NAAA (0.34) FAAHMGLL
SCHEMBL19478690 0.73 ALOX5 (0.35) FAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11076594-B2 Pyrazolone compound or salt thereof, preparation method therefor, herbicide composition and use thereof QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO., LTD. (CN) 2021-08-03 — — US disclosed
US-20180055054-A1 PYRAZOLONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO., LTD. (CN) 2018-03-01 — — 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 (2 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-20180055054-A1 PYRAZOLONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION AND USE THEREOF THEM6, NOTUM, CYP4F11 FAAH 2133/4885MGLL 3462/4885KDM4E 2367/4885
US-11076594-B2 Pyrazolone compound or salt thereof, preparation method therefor, herbicide composition and use thereof THEM6, NOTUM, CYP4F11 FAAH 2133/4885MGLL 3462/4885KDM4E 2367/4885

“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.

Send feedback