SCHEMBL13640179

SCHEMBL13640179

CC1(C)CC(=O)C(=CNc2ccccc2N)C(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 15/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HPGD P15428 4/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ NTSR1 P30989 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TNNI3 P19429 1/20 0.34
▸ TNNT2 P45379 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
SCHEMBL18871544 0.81 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTKMT2ATP53
SCHEMBL12829890 0.80 KDM4E (0.56) ALDH1A1SMN1; SMN2MAPTKMT2ATP53
SCHEMBL11109819 0.78 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTKMT2ATP53
SCHEMBL13640156 0.75 BUB1 (0.45) ALDH1A1SMN1; SMN2MAPTKMT2AHPGD
SCHEMBL18871459 0.75 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2HPGDNPSR1KDM4E
SCHEMBL13640189 0.75 NTRK3 (0.43) ALDH1A1SMN1; SMN2MAPTKMT2ATP53
SCHEMBL13381618 0.73 HPGD (0.47) ALDH1A1SMN1; SMN2MAPTKMT2ATP53
SCHEMBL18871411 0.73 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2MAPTKMT2ATP53
SCHEMBL22056805 0.72 ALDH1A1 (0.43) ALDH1A1MAPTKMT2ATP53HTT
SCHEMBL13640182 0.72 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MAPTKMT2ATP53

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
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

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 ALDH1A1 3248/4885SMN1; SMN2 4879/4885MAPT 4242/4885

“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.

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