SCHEMBL17866583

SCHEMBL17866583

O=C(O)CC(=O)CC(O)C=Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.45
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PAM P19021 2/20 0.44
HAO1 Q9UJM8 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
RECQL P46063 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
GAA P10253 1/20 0.40
TNKS O95271 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL17866584 1.00 CNR2 (0.45) CNR2CYP1A2ALDH1A1PAMHAO1
SCHEMBL17866582 1.00 CNR2 (0.45) CNR2CYP1A2ALDH1A1PAMHAO1
SCHEMBL8885838 0.86 PAM (0.50) CNR2CYP1A2ALDH1A1PAMHAO1
SCHEMBL8885832 0.86 PAM (0.50) CNR2CYP1A2ALDH1A1PAMHAO1
SCHEMBL9420580 0.84 CNR2 (0.41) CNR2CYP1A2ALDH1A1HAO1LMNA
SCHEMBL9420583 0.84 CNR2 (0.41) CNR2CYP1A2ALDH1A1HAO1LMNA
SCHEMBL8846258 0.81 TSHR (0.44) CNR2CYP1A2ALDH1A1LMNAMAPT
SCHEMBL9420633 0.81 NPC1 (0.49) CNR2CYP1A2ALDH1A1RECQLLMNA
SCHEMBL9420636 0.81 NPC1 (0.49) CNR2CYP1A2ALDH1A1RECQLLMNA
SCHEMBL8846251 0.81 TSHR (0.44) CNR2CYP1A2ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701642-B2 Method for producing optically active 5-hydroxy-3-ketoester NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-11 US disclosed
US-20160185734-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 5-HYDROXY-3-KETOESTER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-06-30 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-20160185734-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 5-HYDROXY-3-KETOESTER CYP51A1, HSD3B1, CYP3A5 CNR2 3305/4885CYP1A2 47/4885ALDH1A1 265/4885

“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.