SCHEMBL13618528

SCHEMBL13618528

Cc1cccc(C(=O)Nc2ccc(CCCC(=O)O)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
TP53 P04637 3/20 0.72
FFAR1 O14842 1/20 0.72
GLA P06280 1/20 0.72
NR1H4 Q96RI1 4/20 0.62
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
KCNK3 O14649 2/20 0.57
KCNK9 Q9NPC2 2/20 0.57
KCNH2 Q12809 1/20 0.57
POLB P06746 2/20 0.57
ITGB3 P05106 1/20 0.56
ITGB1 P05556 1/20 0.56
ITGAV P06756 1/20 0.56
ITGA2B P08514 1/20 0.56
ITGB5 P18084 1/20 0.56
NT5E P21589 1/20 0.56

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
SCHEMBL13593586 0.87 NR1H4 (0.58) MEN1KMT2ATP53FFAR1GLA
SCHEMBL10102714 0.85 NR1H4 (0.72) MEN1KMT2AFFAR1NR1H4NPC1
SCHEMBL14595003 0.85 ITGB3 (0.59) MEN1KMT2ATP53FFAR1GLA
SCHEMBL13814818 0.85 NR1H4 (0.58) MEN1KMT2ATP53FFAR1GLA
SCHEMBL2060736 0.85 NR1H4 (0.58) MEN1KMT2ATP53FFAR1GLA
SCHEMBL5659023 0.84 NPC1 (0.66) MEN1KMT2ATP53NR1H4NPC1
SCHEMBL1468045 0.84 NR1H4 (0.58) MEN1KMT2ATP53FFAR1GLA
SCHEMBL31661752 0.84 NPC1 (0.66) MEN1KMT2ATP53NR1H4NPC1
SCHEMBL12725161 0.83 KMT2A (0.69) MEN1KMT2ATP53FFAR1GLA
SCHEMBL14088989 0.82 NR1H4 (0.81) MEN1KMT2AFFAR1NR1H4NPC1

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 MEN1 379/4885KMT2A 2965/4885TP53 1261/4885

“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.