SCHEMBL3316315

SCHEMBL3316315

C=CC(C)OCc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.50
RXRB P28702 8/20 0.50
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.46
RXRG P48443 2/20 0.44
NR4A2 P43354 4/20 0.43
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
KMT2A Q03164 1/20 0.42
PLA2G4B P0C869 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3313827 0.81 RXRA (0.57) RXRARXRBNPC1POLBRAB9A
SCHEMBL15077436 0.79 TSHR (0.43) ALDH1A1KMT2AHPGD
SCHEMBL31059717 0.79 TSHR (0.43) ALDH1A1KMT2AHPGD
SCHEMBL1749434 0.77 ALDH1A1 (0.53) RXRARXRBNPC1POLBRAB9A
SCHEMBL23962128 0.75 ALDH1A1 (0.48) RXRARXRBNPC1POLBRAB9A
SCHEMBL20113838 0.75 RARB (0.48) ALDH1A1KMT2APLA2G4B
SCHEMBL8650205 0.75 MAPT (0.46) RXRARXRBNPC1RAB9ASMN1; SMN2
SCHEMBL2650509 0.75 RXRA (0.54) RXRARXRBNPC1POLBRAB9A
SCHEMBL9193031 0.75 KMT2A (0.65) RXRARXRBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL7129810 0.74 ALDH1A1 (0.50) RXRARXRBNPC1POLBRAB9A

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
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
WO-2008116141-A1 ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-09-25 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 RXRA 1077/4885RXRB 1865/4885NPC1 70/4885

“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.