SCHEMBL7634833

SCHEMBL7634833

COc1ccc(CCCC(=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.63
PLAAT5 Q96KN8 2/20 0.63
PLAAT2 Q9NWW9 2/20 0.63
PLAAT4 Q9UL19 2/20 0.63
ALDH1A1 P00352 2/20 0.59
ALOX5 P09917 2/20 0.57
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
KMT2A Q03164 2/20 0.52
FFAR1 O14842 1/20 0.51
RECQL P46063 1/20 0.51
MAPT P10636 1/20 0.49
CALM1 P0DP23 1/20 0.49
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
HDAC4 P56524 1/20 0.49
SLC6A3 Q01959 1/20 0.49

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
SCHEMBL7059127 0.92 PLAAT3 (0.61) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL7637978 0.89 HDAC1 (0.61) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL7640983 0.88 HDAC1 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4RAB9A
SCHEMBL20023103 0.86 HDAC3 (0.53) ALDH1A1RAB9ANPC1KMT2AFFAR1
SCHEMBL31329294 0.86 ALDH1A1 (0.61) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL20023117 0.85 TDP1 (0.58) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL7638416 0.85 ALDH1A1 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL20022969 0.85 HDAC2 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4RAB9A
SCHEMBL20023061 0.84 NPC1 (0.62) PLAAT3PLAAT5PLAAT2PLAAT4RAB9A
SCHEMBL20023068 0.84 HDAC3 (0.61) RAB9ANPC1L3MBTL1TDP1KMT2A

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-2594563-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-07-18 EP disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 US disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 US disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 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-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA PLAAT3 938/4885PLAAT5 1023/4885PLAAT2 191/4885

“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.