Boropinic Acid

Boropinic Acid

SCHEMBL16792175

COc1cc(/C=C/C(=O)O)ccc1OCC=C(C)C

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 10/20 0.81
MTNR1A P48039 2/20 0.80
SNCA P37840 2/20 0.70
TRPA1 O75762 1/20 0.70
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 1/20 0.69
HPGD P15428 1/20 0.69
ALOX15 P16050 1/20 0.69
MAPK1 P28482 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
HSD17B10 Q99714 1/20 0.69
ALOX5 P09917 1/20 0.66
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA3 P07451 1/20 0.62
PKM P14618 1/20 0.62
CSNK2A2 P19784 1/20 0.62
CA4 P22748 1/20 0.62
CA6 P23280 1/20 0.62

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
SCHEMBL3208260 0.91 PTGES (0.83) PTGESMTNR1ASNCATRPA1ALOX5
SCHEMBL3208266 0.91 PTGES (0.83) PTGESMTNR1ASNCATRPA1ALOX5
SCHEMBL18265477 0.90 MTNR1A (1.00) PTGESMTNR1ASNCATRPA1KDM4E
SCHEMBL16792056 0.90 MTNR1A (1.00) PTGESMTNR1ASNCATRPA1KDM4E
SCHEMBL16792042 0.89 MTNR1A (0.98) PTGESMTNR1ASNCATRPA1KDM4E
SCHEMBL18265494 0.89 MTNR1A (0.98) PTGESMTNR1ASNCATRPA1KDM4E
SCHEMBL9958093 0.88 PTGES (0.79) PTGESMTNR1ASNCATRPA1ALOX5
SCHEMBL13168867 0.88 KDM4E (0.75) PTGESMTNR1ASNCAKDM4EALDH1A1
SCHEMBL16692678 0.87 PTGES (0.77) PTGESMTNR1ASNCATRPA1ALOX5
SCHEMBL18010087 0.87 PTGES (0.77) PTGESMTNR1ASNCATRPA1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3097904-B1 DEPIGMENTING AGENTS TO LIGHTEN THE SKIN AFFICHEM (FR) 2019-08-14 EP disclosed
US-20160375041-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2016-12-29 US disclosed
WO-2016193220-A1 SKIN PIGMENTATION MODIFIERS TO DARKEN OR LIGHTEN THE SKIN AFFICHEM (FR) 2016-12-08 WO disclosed
EP-3097904-A1 DEPIGMENTING AGENTS TO LIGHTEN THE SKIN Affichem (FR) 2016-11-30 EP disclosed
US-20160303146-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2016-10-20 US disclosed
WO-2015089349-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2015-06-18 WO disclosed
WO-2015084721-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2015-06-11 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 (2 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-20160375041-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS GGPS1, FDPS, COASY PTGES 406/4885MTNR1A 3430/4885SNCA 4630/4885
US-20160303146-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS GGPS1, FDPS, COASY PTGES 30/4885MTNR1A 2496/4885SNCA 1652/4885

“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.