SCHEMBL4181795

SCHEMBL4181795

CC(C)c1cc(C(=O)O)n(CCOC2CCCCO2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GCK P35557 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
P2RX3 P56373 9/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CREBBP Q92793 2/20 0.35
EP300 Q09472 1/20 0.35

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
SCHEMBL4186947 0.87 KMT2A (0.38) MEN1KMT2AGCKKDM4CP2RX3
SCHEMBL4191329 0.87 MEN1 (0.45) MEN1KMT2AGCKKDM4CP2RX3
SCHEMBL4185104 0.83 MEN1 (0.44) MEN1KMT2AGCKKDM4CP2RX3
SCHEMBL8296608 0.79 MEN1 (0.51) MEN1KMT2AKDM4CP2RX3NPC1
SCHEMBL4196206 0.79 MEN1 (0.46) MEN1KMT2AGCKKDM4CP2RX3
SCHEMBL4193957 0.77 KMT2A (0.39) MEN1KMT2AGCKKDM4CP2RX3
SCHEMBL5937239 0.77 MEN1 (0.43) MEN1KMT2AGCKKDM4C
SCHEMBL4191448 0.77 MEN1 (0.44) MEN1KMT2AGCKKDM4CP2RX3
SCHEMBL4192007 0.76 NPC1 (0.41) MEN1KMT2AGCKKDM4CP2RX3
SCHEMBL25833887 0.74 MEN1 (0.38) MEN1KMT2AGCKKDM4CP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed
EP-1651640-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-02-14 EP disclosed
EP-1651640-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-02-14 EP disclosed
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors BARBER CHRISTOPHER G 2006-08-10 US disclosed
US-20050043326-A1 Compounds PFIZER INC 2005-02-24 US disclosed
WO-2005009995-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 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 (4 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-20050020611-A1 Compounds NQO1, NAMPT, NNT MEN1 532/4885KMT2A 2721/4885GCK 395/4885
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C MEN1 1891/4885KMT2A 2009/4885GCK 746/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT MEN1 532/4885KMT2A 2721/4885GCK 395/4885
US-20050043326-A1 Compounds NQO1, NAMPT, NNT MEN1 532/4885KMT2A 2721/4885GCK 395/4885

“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.