SCHEMBL13618529

SCHEMBL13618529

Cc1ccccc1C(=O)Nc1ccc(CCCC(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.71
HPGD P15428 3/20 0.63
SMN1; SMN2 Q16637 7/20 0.58
NR1H4 Q96RI1 1/20 0.57
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
TYK2 P29597 1/20 0.54
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC3 O15379 1/20 0.53
MAPK1 P28482 1/20 0.53
ADRA1A P35348 1/20 0.53
HDAC4 P56524 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53

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
SCHEMBL13618526 0.92 FFAR1 (0.74) FFAR1HPGDSMN1; SMN2NR1H4NPC1
SCHEMBL12284610 0.87 FFAR1 (0.75) FFAR1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2119500 0.86 FFAR1 (0.66) FFAR1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL6381563 0.85 ALOX15 (0.70) FFAR1HPGDSMN1; SMN2NR1H4NPC1
SCHEMBL13814819 0.84 SMN1; SMN2 (0.64) FFAR1HPGDSMN1; SMN2NR1H4NPC1
SCHEMBL13814814 0.84 MEN1 (0.63) FFAR1SMN1; SMN2NR1H4MEN1ALDH1A1
SCHEMBL3045865 0.84 NR1H4 (0.54) FFAR1SMN1; SMN2NR1H4ALDH1A1HDAC3
SCHEMBL7636114 0.83 MAPT (0.61) SMN1; SMN2NR1H4NPC1RAB9AMEN1
SCHEMBL13593332 0.83 NR1H4 (0.54) FFAR1SMN1; SMN2NR1H4NPC1RAB9A
SCHEMBL13593538 0.82 SMN1; SMN2 (0.55) FFAR1SMN1; SMN2NR1H4ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2409569-B1 Method for administering GLP-1 molecules EMISPHERE TECH INC (US) 2017-08-16 EP disclosed
US-9370492-B2 Solid pharmaceutical dosage forms comprising bisphosphonates and modified amino acid carriers EMISPHERE TECHNOLOGIES, INC. (US) 2016-06-21 US disclosed
US-20090281064-A1 SOLID PHARMACEUTICAL DOSAGE FORMS COMPRISING BISPHOSPHONATES AND MODIFIED AMINO ACID CARRIERS EMISPHERE TECHNOLOGIES, INC. (US) 2009-11-12 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 (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-20090281064-A1 SOLID PHARMACEUTICAL DOSAGE FORMS COMPRISING BISPHOSPHONATES AND MODIFIED AMINO ACID CARRIERS SLC1A5, SLC7A5, SLC7A1 FFAR1 664/4885HPGD 1445/4885SMN1; SMN2 1235/4885

“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.