SCHEMBL6705756

SCHEMBL6705756

CCC(C(=O)Nc1ccccc1CCCC(=O)O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 6/20 0.60
MAPT P10636 2/20 0.59
KCNQ3 O43525 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
KCNE1 P15382 1/20 0.53
KCNQ1 P51787 1/20 0.53
KCNQ4 P56696 1/20 0.53
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CRHBP P24387 2/20 0.50
CRHR2 Q13324 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
KDM4A O75164 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
SCHEMBL3559356 0.84 SLC16A3 (0.60) KCNQ2MAPTKCNQ3CYP1A2CYP3A4
SCHEMBL6707495 0.80 CRHBP (0.71) KCNQ2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL28513100 0.78 MAPK1 (0.49) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL6340417 0.76 CYSLTR2 (0.49) MAPTCRHBPCRHR2L3MBTL1NPSR1
SCHEMBL2970624 0.76 FFAR1 (0.48)
SCHEMBL15697660 0.75 L3MBTL1 (0.65) MAPTCYP2D6CYP2C9ALDH1A1MEN1
SCHEMBL3456848 0.75 KCNQ2 (0.64) KCNQ2MAPTKCNQ3CYP1A2CYP3A4
SCHEMBL11266416 0.74 HDAC3 (0.52) MAPTCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL13166879 0.73 KCNQ2 (0.66) KCNQ2MAPTKCNQ3CYP1A2CYP3A4
SCHEMBL7752354 0.73 ALDH1A1 (0.82) KCNQ2MAPTCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040068013-A1 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. 2004-04-08 US disclosed
US-6663887-B2 Modified amino acid compounds EMISPHERE TECHNOLOGIES, INC. 2003-12-16 US disclosed
EP-0783299-B1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2003-09-10 EP disclosed
US-20020120009-A1 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. 2002-08-29 US disclosed
US-20010003001-A1 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. 2001-06-07 US disclosed
US-6100298-A MIXTURE OF DRUG AND N-(4-(CARBOXYPROPYL)PHENYL-4-PHENYL-BUTYRAMIDE FOR IMPROVED ORAL DRUG DELIVERY EMISPHERE TECHNOLOGIES, INC. (US) 2000-08-08 US disclosed
US-5955503-A MODIFIED AMINO ACID COMPOUNDS USEFUL AS CARRIERS IN THE DELIVERY OF BIOLOGICALLY ACTIVE AGENTS SUCH AS, FOR EXAMPLE, BIOACTIVE PEPTIDES AND THE LIKE EMISPHERE TECHNOLOGIES, INC. (US) 1999-09-21 US disclosed
US-5643957-A MODIFIED AMINO ACIDS, SIMPLE, INEXPENSIVE EMISPHERE TECHNOLOGIES, INC. (US) 1997-07-01 US 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 (3 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-20040068013-A1 Compounds and compositions for delivering active agents DNPEP, SLC7A1, SERPINB1 KCNQ2 4806/4885MAPT 1501/4885KCNQ3 4792/4885
US-20020120009-A1 Compounds and compositions for delivering active agents DNPEP, SLC7A1, SERPINB1 KCNQ2 4806/4885MAPT 1501/4885KCNQ3 4792/4885
US-20010003001-A1 Compounds and compositions for delivering active agents DNPEP, SLC7A1, SERPINB1 KCNQ2 4806/4885MAPT 1501/4885KCNQ3 4792/4885

“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.