SCHEMBL5161471

SCHEMBL5161471

COc1ccc(C(=O)CC(C(=O)O)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
ALDH1A1 P00352 6/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 3/20 0.53
MITF O75030 1/20 0.53
HIF1A Q16665 1/20 0.53
MGAM O43451 1/20 0.52
GAA P10253 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
HSD11B1 P28845 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL9148324 0.94 L3MBTL1 (0.73) L3MBTL1ALDH1A1NPC1RAB9APOLB
SCHEMBL11526496 0.88 L3MBTL1 (0.65) L3MBTL1ALDH1A1NPC1RAB9APOLB
SCHEMBL28141392 0.88 L3MBTL1 (0.61) L3MBTL1ALDH1A1NPC1RAB9APOLB
SCHEMBL2397228 0.86 L3MBTL1 (0.69) L3MBTL1ALDH1A1NPC1RAB9APOLB
SCHEMBL13100657 0.84 HTR1A (0.58) L3MBTL1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL13175535 0.84 L3MBTL1 (0.71) L3MBTL1ALDH1A1NPC1RAB9APOLB
SCHEMBL2140616 0.84 PDPK1 (0.67) L3MBTL1ALDH1A1NPC1RAB9APOLB
SCHEMBL29110194 0.84 L3MBTL1 (0.71) L3MBTL1ALDH1A1NPC1RAB9APOLB
SCHEMBL1754732 0.84 KMT2A (0.71) L3MBTL1ALDH1A1POLBSMN1; SMN2TDP1
SCHEMBL29110683 0.83 L3MBTL1 (0.66) L3MBTL1ALDH1A1NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US disclosed
US-4058529-A Polycyclic amino derivatives of pyrrolidone and piperidone CIBA-GEIGY CORPORATION (US) 1977-11-15 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 L3MBTL1 4022/4885ALDH1A1 3567/4885NPC1 822/4885

“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.