SCHEMBL13618526

SCHEMBL13618526

Cc1ccccc1C(=O)Nc1ccc(CCC(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.74
HPGD P15428 3/20 0.67
SMN1; SMN2 Q16637 6/20 0.61
RECQL P46063 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
TYK2 P29597 1/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.56
NR1H4 Q96RI1 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
THRB P10828 1/20 0.53
FFAR4 Q5NUL3 1/20 0.52
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL13618529 0.92 FFAR1 (0.71) FFAR1HPGDSMN1; SMN2RECQLL3MBTL1
SCHEMBL12284610 0.90 FFAR1 (0.75) FFAR1HPGDSMN1; SMN2L3MBTL1NPC1
SCHEMBL19077945 0.84 ALOX15 (0.68) FFAR1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2119500 0.83 FFAR1 (0.66) FFAR1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL27541341 0.83 PTGS1 (0.56) FFAR1SMN1; SMN2ALDH1A1NR1H4LMNA
SCHEMBL4347151 0.82 MAPT (0.64) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11589293 0.82 FFAR1 (0.73) FFAR1HPGDSMN1; SMN2L3MBTL1NPC1
SCHEMBL14289116 0.82 CYP2C9 (0.68) FFAR1ALDH1A1NR1H4MEN1KMT2A
SCHEMBL21993 0.81 HPGD (1.00) FFAR1HPGDSMN1; SMN2L3MBTL1NPC1
SCHEMBL1232960 0.80 NR1H4 (0.71) FFAR1NPC1RAB9ANR1H4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.