SCHEMBL3314748

SCHEMBL3314748

C=C(C)COc1ccccc1C(=O)O.[NaH]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.63
HTT P42858 2/20 0.63
ALDH1A1 P00352 7/20 0.56
KMT2A Q03164 2/20 0.56
PTK2B Q14289 1/20 0.56
HSD17B10 Q99714 6/20 0.54
HPGD P15428 4/20 0.54
ESR1 P03372 1/20 0.54
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
HMGB1 P09429 1/20 0.54
TSHR P16473 1/20 0.54
GGT1 P19440 1/20 0.54
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
BLM P54132 1/20 0.54
NAPRT Q6XQN6 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL3316012 0.98 KDM4E (0.65) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL16966571 0.98 KDM4E (0.65) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL6904968 0.84 KDM4E (0.69) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL14092915 0.84 KDM4E (0.46) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL538221 0.84 ELANE (0.51) KDM4EHTTKMT2AGPR174MEN1
SCHEMBL5382362 0.83 MAPT (0.56) KDM4EHTTALDH1A1KMT2ALMNA
SCHEMBL3314743 0.82 KDM4E (0.45) KDM4EHTTALDH1A1KMT2AHPGD
SCHEMBL8379922 0.82 ALDH1A1 (0.56) KDM4EHTTALDH1A1KMT2AHPGD
SCHEMBL21545998 0.81 MAPT (0.50) KDM4EHTTALDH1A1KMT2AHSD17B10
SCHEMBL9645622 0.81 KDM4E (0.65) KDM4EHTTALDH1A1KMT2APTK2B

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 4 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-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

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 KDM4E 2914/4885HTT 749/4885ALDH1A1 196/4885

“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.