SCHEMBL29626835

SCHEMBL29626835

CS[C@H](C)/C(=N\OCc1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.46
PPARA Q07869 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CCR8 P51685 2/20 0.43
KCNH2 Q12809 2/20 0.43
CETP P11597 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
PTGES O14684 1/20 0.37
MMP1 P03956 2/20 0.36
LMNA P02545 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
MMP2 P08253 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
SCHEMBL7832912 1.00 PPARG (0.46) PPARGPPARANPC1RAB9ACCR8
SCHEMBL11615687 0.89 PPARG (0.49) PPARGPPARANPC1RAB9ACCR8
SCHEMBL11615686 0.89 PPARG (0.49) PPARGPPARANPC1RAB9ACCR8
SCHEMBL11573521 0.79 NPC1 (0.50) PPARGPPARANPC1RAB9ACCR8
SCHEMBL11573519 0.79 NPC1 (0.50) PPARGPPARANPC1RAB9ACCR8
SCHEMBL11451678 0.68 FFAR1 (0.46) CETPFFAR4ALDH1A1MAPTL3MBTL1
SCHEMBL9558288 0.68 PPARG (0.46) PPARGPPARACCR8KCNH2DAGLA
SCHEMBL11451677 0.68 FFAR1 (0.46) CETPFFAR4ALDH1A1MAPTL3MBTL1
SCHEMBL13719088 0.68 PPARG (0.59) PPARGPPARACETPALDH1A1LMNA
SCHEMBL12779183 0.67 NPC1 (0.45) PPARGPPARANPC1RAB9A

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
US-12161117-B2 Agrochemical combinations UPL LTD (IN) 2024-12-10 US disclosed
US-11812748-B2 Pesticidal combinations UPL LTD (IN) 2023-11-14 US disclosed
US-11517016-B2 Agrochemical combinations UPL LTD. (IN) 2022-12-06 US disclosed
EP-4003019-A1 NOVEL AGROCHEMICAL COMBINATIONS UPL Limited (IN) 2022-06-01 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 (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-11812748-B2 Pesticidal combinations DDT, BCHE, QDPR PPARG 1126/4885PPARA 1372/4885NPC1 2755/4885
US-12161117-B2 Agrochemical combinations DDT, ACHE, BCHE PPARG 2924/4885PPARA 3898/4885NPC1 2829/4885

“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.