SCHEMBL1548690

SCHEMBL1548690

C#CCOc1ccc(CCNC(=O)C(O)CCc2ccccc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ PLAAT3 P53816 1/20 0.51
▸ PLAAT5 Q96KN8 1/20 0.51
▸ PLAAT2 Q9NWW9 1/20 0.51
▸ PLAAT4 Q9UL19 1/20 0.51
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MTNR1A P48039 2/20 0.48
▸ MTNR1B P49286 2/20 0.48
▸ CTSD P07339 2/20 0.47
▸ TSHR P16473 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ADRB2 P07550 1/20 0.46
▸ ADRB1 P08588 1/20 0.46
▸ ADRB3 P13945 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL1549196 1.00 ALDH1A1 (0.51) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1549223 1.00 ALDH1A1 (0.51) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1549160 0.92 LMNA (0.54) ALDH1A1TP53POLBADRB2ADRB1
SCHEMBL1548630 0.92 LMNA (0.54) ALDH1A1TP53POLBADRB2ADRB1
SCHEMBL1548628 0.92 LMNA (0.54) ALDH1A1TP53POLBADRB2ADRB1
SCHEMBL1549195 0.91 KMT2A (0.48) ALDH1A1TSHRSMN1; SMN2ADRB2ADRB1
SCHEMBL1548828 0.91 GAA (0.53) ALDH1A1TP53CTSDSMN1; SMN2
SCHEMBL1548415 0.91 GAA (0.53) ALDH1A1TP53CTSDSMN1; SMN2
SCHEMBL1548413 0.91 GAA (0.53) ALDH1A1TP53CTSDSMN1; SMN2
SCHEMBL1548595 0.91 KMT2A (0.48) ALDH1A1TSHRSMN1; SMN2ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444196-B1 ALPHA-OXYGENATED CARBOXYLIC ACID PHENETHYLAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-03-18 — — EP claimed
US-7601674-B2 for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi SYNGENTA CROP PROTECTION, INC. (US) 2009-10-13 — — US claimed
US-20050020450-A1 for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi SYNGENTA CROP PROTECTION, INC. 2005-01-27 — — US claimed
EP-1444196-A1 NOVEL ALPHA-OXYGENATED OR ALPHA-THIOLATED CARBOXYLIC ACID PENETHYLAMIDE DERIVATIVES Syngenta Participations AG (CH) 2004-08-11 — — EP claimed
WO-2003042167-A1 NOVEL α-OXYGENATED OR α-THIOLATED CARBOXYLIC ACID PENETHYLAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 — — WO claimed
EP-1444196-B1 ALPHA-OXYGENATED CARBOXYLIC ACID PHENETHYLAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-03-18 — — EP disclosed
EP-1444196-B1 ALPHA-OXYGENATED CARBOXYLIC ACID PHENETHYLAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-03-18 — — EP disclosed
EP-2314568-A2 Novel alpha-oxygenated or alpha-thiolated carboxylic acid phenethylamide derivatives Syngenta Participations AG (CH) 2011-04-27 — — EP disclosed
EP-2314568-A2 Novel alpha-oxygenated or alpha-thiolated carboxylic acid phenethylamide derivatives Syngenta Participations AG (CH) 2011-04-27 — — EP disclosed
US-7601674-B2 for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi SYNGENTA CROP PROTECTION, INC. (US) 2009-10-13 — — US disclosed
US-7601674-B2 for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi SYNGENTA CROP PROTECTION, INC. (US) 2009-10-13 — — US disclosed
US-7601674-B2 for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi SYNGENTA CROP PROTECTION, INC. (US) 2009-10-13 — — US disclosed
US-20050020450-A1 for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi SYNGENTA CROP PROTECTION, INC. 2005-01-27 — — US disclosed
EP-1444196-A1 NOVEL ALPHA-OXYGENATED OR ALPHA-THIOLATED CARBOXYLIC ACID PENETHYLAMIDE DERIVATIVES Syngenta Participations AG (CH) 2004-08-11 — — EP disclosed
WO-2003042167-A1 NOVEL α-OXYGENATED OR α-THIOLATED CARBOXYLIC ACID PENETHYLAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 — — 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-20050020450-A1 for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi CBR3, CBR1, MSR1 ALDH1A1 2297/4885PLAAT3 2837/4885PLAAT5 4022/4885

“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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