SCHEMBL30100945

SCHEMBL30100945

CCC(=O)c1c(O)cc(O)c(CC=C(C)C)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.58
ALOX5 P09917 2/20 0.58
PTGS2 P35354 2/20 0.58
PTGES O14684 1/20 0.58
SMPD1 P17405 2/20 0.56
CTSL P07711 1/20 0.53
HPGD P15428 3/20 0.49
HTT P42858 2/20 0.49
CYP19A1 P11511 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 2/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP3A4 P08684 1/20 0.47
DRD3 P35462 1/20 0.47
PTPN1 P18031 2/20 0.47
APP P05067 1/20 0.47

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
SCHEMBL31576819 0.85 ALOX5 (0.76) PTGS1ALOX5PTGS2PTGESSMPD1
SCHEMBL9578229 0.85 ALOX5 (0.76) PTGS1ALOX5PTGS2PTGESSMPD1
SCHEMBL16343640 0.84 SMPD1 (0.60) PTGS1ALOX5PTGS2PTGESSMPD1
SCHEMBL30100963 0.84 FFAR1 (0.64) PTGS1ALOX5PTGS2PTGESSMPD1
SCHEMBL15361077 0.82 MAOB (0.49) PTGS1ALOX5PTGS2PTGESSMPD1
SCHEMBL24075565 0.80 FFAR1 (0.59) PTGS1ALOX5PTGS2PTGESSMPD1
SCHEMBL31576809 0.80 FFAR1 (0.59) PTGS1ALOX5PTGS2PTGESSMPD1
SCHEMBL24075664 0.80 HIF1A (0.54) PTGS1ALOX5PTGS2PTGESSMPD1
SCHEMBL31576814 0.80 HIF1A (0.54) PTGS1ALOX5PTGS2PTGESSMPD1
SCHEMBL15361658 0.79 CYP19A1 (0.59) PTGS1ALOX5PTGS2PTGESSMPD1

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-20240262775-A1 Methods to synthesize cyclopentenes and cyclopentadienes by ring contraction NATURAL EXTRACTION SYS LLC (US) 2024-08-08 US disclosed
WO-2022240895-A1 METHODS TO SYNTHESIZE CYCLOPENTENES AND CYCLOPENTADIENES BY RING CONTRACTION Natural Extraction Systems, LLC (US) 2022-11-17 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-20240262775-A1 Methods to synthesize cyclopentenes and cyclopentadienes by ring contraction PTGIS, CYC1, CYCS PTGS1 10/4885ALOX5 76/4885PTGS2 8/4885

“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.