SCHEMBL6700595

SCHEMBL6700595

O=Cc1cc(OCc2ccc(C(=O)O)cc2)ccc1OCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.54
RXRA P19793 7/20 0.50
RXRB P28702 7/20 0.50
NR4A2 P43354 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RXRG P48443 2/20 0.50
POLB P06746 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
TSHR P16473 1/20 0.49
PLA2G4B P0C869 2/20 0.48
TUBB1 Q9H4B7 1/20 0.47
SRD5A2 P31213 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46

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
SCHEMBL5883010 0.88 PTGDR2 (0.60) PTGDR2TUBB1
SCHEMBL5943423 0.86 TUBB1 (0.64) RXRARXRBNR4A2NPC1RAB9A
SCHEMBL7285781 0.84 PTGDR2 (0.69) PTGDR2RAB9APOLBTSHRTUBB1
SCHEMBL6700077 0.82 ERN1 (0.56) RXRARXRBNR4A2NPC1RAB9A
SCHEMBL930474 0.80 MRGPRX4 (0.55) RXRARXRBNPC1RAB9ASMN1; SMN2
SCHEMBL29958502 0.80 NR4A2 (0.56) RXRARXRBNR4A2NPC1RAB9A
SCHEMBL6700704 0.80 RXRA (0.48) RXRARXRBNR4A2NPC1RAB9A
SCHEMBL5883150 0.79 PTGDR2 (0.62) PTGDR2RAB9APOLBTSHRTUBB1
SCHEMBL6693981 0.79 RAB9A (0.56) NPC1RAB9ASMN1; SMN2POLBTUBB1
SCHEMBL29955503 0.78 PTGDR2 (0.62) PTGDR2RXRARXRBNPC1RAB9A

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-20040063647-A1 Novel amphipathic aldehydes and their use as adjuvants and immunoeffectors CORIXA CORPORATION 2004-04-01 US disclosed
US-6649172-B2 5-(p-carboxybenzyloxy)-2-oxybenzaldehyde derivatives; vaccine adjuvants CORIXA CORPORATION 2003-11-18 US disclosed
EP-1265840-A2 NOVEL AMPHIPATHIC ALDEHYDES AND THEIR USE AS ADJUVANTS AND IMMUNOEFFECTORS CORIXA CORPORATION (US) 2002-12-18 EP disclosed
US-20010053363-A1 Novel amphipathic aldehydes and their uses as adjuvants and immunoeffectors CORIXA CORPORATION 2001-12-20 US disclosed
WO-2001070663-A2 NOVEL AMPHIPATHIC ALDEHYDES AND THEIR USE AS ADJUVANTS AND IMMUNOEFFECTORS CORIXA CORPORATION (US) 2001-09-27 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-20040063647-A1 Novel amphipathic aldehydes and their use as adjuvants and immunoeffectors MAVS, TLR3, LY96 PTGDR2 2223/4885RXRA 333/4885RXRB 291/4885
US-20010053363-A1 Novel amphipathic aldehydes and their uses as adjuvants and immunoeffectors MAVS, TLR3, LY96 PTGDR2 2143/4885RXRA 344/4885RXRB 297/4885

“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.