SCHEMBL694844

SCHEMBL694844

COc1ccccc1COCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.59
L3MBTL1 Q9Y468 4/20 0.58
MAPT P10636 3/20 0.58
LMNA P02545 2/20 0.58
RXRA P19793 1/20 0.53
RARB P10826 1/20 0.51
RAB9A P51151 2/20 0.50
NR4A2 P43354 2/20 0.50
HPGD P15428 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49
ALKBH1 Q13686 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TAS2R14 Q9NYV8 1/20 0.47
PPARD Q03181 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL695301 0.94 L3MBTL1 (0.54) PKML3MBTL1MAPTLMNARXRA
SCHEMBL695665 0.88 MAPT (0.63) L3MBTL1MAPTLMNARAB9AHPGD
SCHEMBL10690676 0.88 L3MBTL1 (0.65) PKML3MBTL1MAPTLMNARXRA
SCHEMBL16517520 0.85 TSHR (0.57) L3MBTL1MAPTLMNARXRARAB9A
SCHEMBL24047115 0.79 NR4A2 (0.73) PKMRXRARARBRAB9ANR4A2
SCHEMBL5710347 0.77 MAPT (0.51) L3MBTL1MAPTHPGD
SCHEMBL2087592 0.76 MAOB (0.68) L3MBTL1MAPTLMNAHPGDPOLB
SCHEMBL1285278 0.76 PKM (1.00) PKML3MBTL1MAPTRARBRAB9A
SCHEMBL577687 0.76 PKM (0.78) PKML3MBTL1MAPTRXRARARB
SCHEMBL4509186 0.76 PKM (0.78) PKML3MBTL1MAPTRXRARARB

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
US-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-05-10 US disclosed
EP-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 EP disclosed
WO-2010122580-A2 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2010-10-28 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 (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-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN REN, ACE, AGTR1 PKM 543/4885L3MBTL1 4879/4885MAPT 202/4885

“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.