SCHEMBL21808765

SCHEMBL21808765

CCCCCCCN1CCN(C)C1=O.CN1CCCN(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
GBA1 P04062 2/20 0.40
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
MGLL Q99685 3/20 0.38
FAAH O00519 2/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
S1PR1 P21453 1/20 0.36
CYP1A1 P04798 2/20 0.36
ALDH1A1 P00352 1/20 0.35
PLA2G2A P14555 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL27677921 0.93 ALOX5 (0.44) ALOX5GBA1PTGS1PTGS2MGLL
SCHEMBL6561542 0.93 ALOX5 (0.44) ALOX5GBA1PTGS1PTGS2MGLL
SCHEMBL10721232 0.93 GBA1 (0.44) ALOX5GBA1PTGS1PTGS2MGLL
SCHEMBL31728677 0.93 GBA1 (0.44) ALOX5GBA1PTGS1PTGS2MGLL
SCHEMBL31729293 0.93 GBA1 (0.44) ALOX5GBA1PTGS1PTGS2MGLL
SCHEMBL10721244 0.93 GBA1 (0.44) ALOX5GBA1PTGS1PTGS2MGLL
SCHEMBL6561436 0.93 GBA1 (0.44) ALOX5GBA1PTGS1PTGS2MGLL
SCHEMBL9322926 0.93 GBA1 (0.44) ALOX5GBA1PTGS1PTGS2MGLL
SCHEMBL25752208 0.93 GBA1 (0.44) ALOX5GBA1PTGS1PTGS2MGLL
SCHEMBL25752146 0.93 GBA1 (0.44) ALOX5GBA1PTGS1PTGS2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200093131-A1 STABILISED FORMULATIONS CONTAINING PROTHIOCONAZOLE WITH A LOW 2-(1-CHLOROCYCLOPROPYL)-1-(2-CHLOROPHENYL)-3-(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL CONTENT BAYER AKTIENGESELLSCHAFT (DE) 2020-03-26 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-20200093131-A1 STABILISED FORMULATIONS CONTAINING PROTHIOCONAZOLE WITH A LOW 2-(1-CHLOROCYCLOPROPYL)-1-(2-CHLOROPHENYL)-3-(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL CONTENT CTRL, PIR, THOC2 ALOX5 2750/4885GBA1 1301/4885PTGS1 1839/4885

“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.