SCHEMBL17898643

SCHEMBL17898643

C=C[C@H](Cc1ccc(F)cc1)[C@@H](OC(=O)C(C)C)[C@H](C)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
GPR34 Q9UPC5 2/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TGM2 P21980 1/20 0.37
RCE1 Q9Y256 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL17896201 0.83 PPARG (0.40) PPARGPPARAGPR34RCE1L3MBTL1
SCHEMBL17760943 0.82 RCE1 (0.41) PPARGPPARAGPR34NOS3NOS1
SCHEMBL17760957 0.76 GPR34 (0.42) PPARGPPARAGPR34CA12CA7
SCHEMBL19614788 0.76 GPR34 (0.42) PPARGPPARAGPR34CA12CA7
SCHEMBL17898644 0.75 RCE1 (0.40) RCE1KMT2A
SCHEMBL17896221 0.75 RCE1 (0.41) PPARGRCE1ALDH1A1
SCHEMBL17760962 0.73 RCE1 (0.46) RCE1ALDH1A1KMT2A
SCHEMBL16593809 0.72 TAS2R14 (0.39) RCE1L3MBTL1KMT2A
SCHEMBL17760970 0.70 PPARG (0.41) PPARGPPARAGPR34CA12CA7
SCHEMBL19614771 0.70 PPARG (0.41) PPARGPPARAGPR34CA12CA7

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-20180002320-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-01-04 US disclosed
US-20180002319-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2018-01-04 US disclosed
WO-2016109291-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109290-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO 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-20180002320-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, CYP4F2 PPARG 2292/4885PPARA 3447/4885GPR34 3421/4885
US-20180002319-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY AADAC, CYP51A1, PFAS PPARG 2642/4885PPARA 3076/4885GPR34 3360/4885

“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.