SCHEMBL2224646

SCHEMBL2224646

CCOc1ccc2ccc(OC(CC)C(=O)NC(C)(C)C)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
PPARG P37231 4/20 0.42
PPARA Q07869 3/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 3/20 0.40
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
ABL1 P00519 1/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL2222036 0.88 AKR1C3 (0.46) AKR1C3AKR1C2PPARGPPARA
SCHEMBL2226228 0.87 AKR1C3 (0.41) AKR1C3AKR1C2PPARGPPARALMNA
SCHEMBL2221584 0.87 AKR1C3 (0.41) AKR1C3AKR1C2PPARGPPARALMNA
SCHEMBL2221839 0.86 LMNA (0.44) PPARGPPARALMNARAB9ASMN1; SMN2
SCHEMBL2221549 0.83 PPARG (0.39) AKR1C3AKR1C2PPARGPPARALMNA
SCHEMBL2220644 0.81 AKR1C3 (0.49) AKR1C3AKR1C2PPARGPPARALMNA
SCHEMBL2222030 0.81 SMN1; SMN2 (0.59) AKR1C3AKR1C2PPARGPPARAPOLB
SCHEMBL12181886 0.77 ALDH1A1 (0.49) LMNAPOLBABL1RAB9ASMN1; SMN2
SCHEMBL154893 0.76 ALDH1A1 (0.39) LMNAPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL29814914 0.76 ALDH1A1 (0.39) LMNAPOLBSMN1; SMN2ALDH1A1MEN1

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
US-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY 2012-11-08 US claimed
WO-2012087372-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO claimed
US-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY 2012-11-08 US disclosed
EP-2516385-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. du Pont de Nemours and Company (US) 2012-10-31 EP disclosed
WO-2011087837-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-21 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 (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-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES CBR3, CBR1, Q6ZSR9 AKR1C3 251/4885AKR1C2 825/4885PPARG 3476/4885

“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.