SCHEMBL3315985

SCHEMBL3315985

CCOCc1cccc(C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 15/20 0.68
TP53 P04637 2/20 0.68
PKM P14618 2/20 0.68
NFKB1 P19838 2/20 0.68
NFKB2 Q00653 2/20 0.68
RELA Q04206 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
RAB9A P51151 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
ALDH1A1 P00352 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
FOLH1 Q04609 1/20 0.56
PLA2G4B P0C869 1/20 0.55

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
SCHEMBL6000790 0.89 MRGPRX4 (0.68) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL3312463 0.87 MRGPRX4 (0.60) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL27650204 0.86 NR4A2 (0.65) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL19301712 0.85 MRGPRX4 (0.58) MRGPRX4TP53PKMNFKB1NFKB2
Ether SCHEMBL7811293 0.85 MRGPRX4 (0.57) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL14283958 0.85 PARP1 (0.50) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL14093309 0.84 PLA2G4B (0.67) MRGPRX4TP53PKMNFKB1NFKB2
Isophthalic Acid SCHEMBL1557618 0.83 KMT2A (0.56) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL25284732 0.83 MRGPRX4 (0.56) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL27980684 0.83 CYP4F2 (0.64) SMN1; SMN2RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466199-B2 Allyloxy and alkyloxy benzoic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-06-18 US disclosed
US-8466199-B2 Allyloxy and alkyloxy benzoic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-06-18 US disclosed
US-8466199-B2 Allyloxy and alkyloxy benzoic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-06-18 US disclosed
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-04-29 US disclosed
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-04-29 US disclosed
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-04-29 US disclosed
EP-2136624-A1 ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS Emisphere Technologies, Inc. (US) 2009-12-30 EP disclosed
WO-2008116141-A1 ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-09-25 WO disclosed
WO-2008116141-A1 ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-09-25 WO disclosed
EP-0764159-B1 C -4 AMIDE SUBSTITUTED COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 2000-08-09 EP disclosed
US-5843989-A C4 -amide substituted compounds and their use as therapeutic agents SMITHKLINE BEECHAM P.L.C. (GB) 1998-12-01 US disclosed
EP-0764159-A1 C -4 AMIDE SUBSTITUTED COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1997-03-26 EP disclosed
WO-1995034547-A1 C-4 AMIDE SUBSTITUTED COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1995-12-21 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-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS ABCB11, TSPO, AADAC MRGPRX4 780/4885TP53 3987/4885PKM 3674/4885

“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.