SCHEMBL12829890

SCHEMBL12829890

CC1(C)CC(=O)C(=CNc2ccccc2C(N)=O)C(=O)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.56
▸ ALDH1A1 P00352 11/20 0.56
▸ BUB1 O43683 1/20 0.47
▸ MAPT P10636 7/20 0.44
▸ SMN1; SMN2 Q16637 7/20 0.44
▸ NPC1 O15118 6/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ HSD17B10 Q99714 5/20 0.44
▸ NFKB1 P19838 4/20 0.44
▸ NFKB2 Q00653 4/20 0.44
▸ RELA Q04206 4/20 0.44
▸ TP53 P04637 4/20 0.44
▸ CASP1 P29466 3/20 0.44
▸ PKM P14618 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ HPGD P15428 4/20 0.42
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL27945041 0.81 ALDH1A1 (0.61) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL13640179 0.80 ALDH1A1 (0.42) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL18871544 0.76 ALDH1A1 (0.41) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL11109819 0.73 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2RAB9AHSD17B10
SCHEMBL13640156 0.71 BUB1 (0.45) ALDH1A1BUB1MAPTSMN1; SMN2HPGD
SCHEMBL2612359 0.69 KDM4E (0.58) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL18871411 0.69 ALDH1A1 (0.34) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL18871126 0.69 KDM4E (0.51) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL8428005 0.68 MAPT (0.51) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL13640189 0.68 NTRK3 (0.43) KDM4EALDH1A1MAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477491-B1 PLANT ADDITIVES AND USES THEREOF TO MODULATE THE SYNTHESIS OF MEMBRANE GLYCEROLIPIDS IN PLANTS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-05-17 — — EP disclosed
US-9028855-B2 Plant additives and uses thereof to modulate the synthesis of membrane glycerolipids in planta COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-05-12 — — US disclosed
US-9028855-B2 Plant additives and uses thereof to modulate the synthesis of membrane glycerolipids in planta COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-05-12 — — US disclosed
US-20120283101-A1 Plant Additives and Uses Thereof to Modulate the Synthesis of Membrane Glycerolipids in Planta COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-11-08 — — US disclosed
US-20120283101-A1 Plant Additives and Uses Thereof to Modulate the Synthesis of Membrane Glycerolipids in Planta COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-11-08 — — US disclosed
EP-2301347-A1 Plant additives and uses thereof to modulate the synthesis of membrane glycerolipids in planta Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2011-03-30 — — 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 (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-20120283101-A1 Plant Additives and Uses Thereof to Modulate the Synthesis of Membrane Glycerolipids in Planta PGM2, SGMS2, PHOSPHO1 KDM4E 4287/4885ALDH1A1 3248/4885BUB1 3024/4885

“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