SCHEMBL16113804

SCHEMBL16113804

Cc1cccc(C2=CCN(C(=O)O)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
QDPR P09417 1/20 0.51
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
MMP2 P08253 2/20 0.50
MMP3 P08254 2/20 0.50
ADAM10 O14672 1/20 0.50
MMP1 P03956 1/20 0.50
MMP9 P14780 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL5959136 0.87 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2241959 0.86 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4864624 0.85 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29924615 0.85 QDPR (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29150004 0.85 QDPR (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3993976 0.84 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5373499 0.84 MAPT (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL901957 0.84 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL16496703 0.84 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2172841 0.83 ADAM10 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 US disclosed
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 WO disclosed
US-10301299-B2 Glycosidase inhibitors MERCK PATENT GMBH (DE) 2019-05-28 US disclosed
EP-2970272-A1 GLYCOSIDASE INHIBITORS Merck Patent GmbH (DE) 2016-01-20 EP disclosed
WO-2014159234-A1 GLYCOSIDASE INHIBITORS MERCK PATENT GMBH (DE) 2014-10-02 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 (2 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-10301299-B2 Glycosidase inhibitors GAA, BACE1, GBA3 ALDH1A1 620/4885MEN1 3113/4885KMT2A 1818/4885
US-20220144797-A1 20-HETE FORMATION INHIBITORS CYP4A22, ALOX5, ALOX15 ALDH1A1 545/4885MEN1 4869/4885KMT2A 4424/4885

“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.