SCHEMBL6651089

SCHEMBL6651089

O=C(O)C=C(CCC(=O)O)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.41
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EPHX2 P34913 1/20 0.34
TSHR P16473 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
EPHX1 P07099 2/20 0.33
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM5A P29375 2/20 0.31
PHF8 Q9UPP1 2/20 0.31
KDM2A Q9Y2K7 2/20 0.31

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
SCHEMBL6651087 1.00 ALDH1A1 (0.43) ALDH1A1LMNACES2CES1ALKBH5
SCHEMBL4866555 0.80 CES2 (0.41) ALDH1A1CES2CES1TSHRHDAC8
SCHEMBL4866559 0.80 CES2 (0.41) ALDH1A1CES2CES1TSHRHDAC8
SCHEMBL8536055 0.73 ALDH1A1 (0.50) ALDH1A1LMNACES2CES1ALKBH5
SCHEMBL2400052 0.73 ALDH1A1 (0.50) ALDH1A1LMNACES2CES1ALKBH5
SCHEMBL8209830 0.70 CES2 (0.48) ALDH1A1CES2CES1TSHRHDAC8
SCHEMBL3991168 0.70 ALDH1A1 (0.47) ALDH1A1LMNACES2CES1ALKBH5
Succinic Acid SCHEMBL27494088 0.68 LMNA (0.75) ALDH1A1LMNAALKBH5SUCNR1EGLN1
Succinic Acid SCHEMBL27617119 0.68 LMNA (0.75) ALDH1A1LMNAALKBH5SUCNR1EGLN1
Succinic Acid SCHEMBL28567889 0.68 ALDH1A1 (0.54) ALDH1A1LMNACES2CES1ALKBH5

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-6828464-B2 Preparation of cyclopentenones BASF AKTIENGESELLSCHAFT (DE) 2004-12-07 US disclosed
US-20040102655-A1 Preparation of cyclopentenoes BASF AKTIENGESELLSCHAFT (DE) 2004-05-27 US disclosed
EP-1422212-A1 Process for preparing cyclopentenone BASF AKTIENGESELLSCHAFT (DE) 2004-05-26 EP disclosed
EP-0297447-B1 METHOD FOR THE PREPARATION OF 2-CYCLOPENTENONES BASF Aktiengesellschaft (DE) 1991-10-16 EP disclosed
EP-0297447-A2 Method for the preparation of 2-cyclopentenones BASF Aktiengesellschaft (DE) 1989-01-04 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-20040102655-A1 Preparation of cyclopentenoes CYP17A1, CYP2F1, CYP2S1 ALDH1A1 389/4885LMNA 3150/4885CES2 1719/4885

“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.