SCHEMBL4408191

SCHEMBL4408191

COC(CC(=O)O)OC.[LiH]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.41
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
PGD P52209 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 1/20 0.36
GABRR1 P24046 2/20 0.35
FOLH1 Q04609 1/20 0.34
MMP12 P39900 1/20 0.34
CACNB3 P54284 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNA1C Q13936 1/20 0.33
FFAR3 O14843 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL607414 0.97
Formic Acid SCHEMBL27145158 0.87 PGD (0.37) SLC22A6ALOX15TDP1SMN1; SMN2LMNA
SCHEMBL2915579 0.77 GAA (0.37) SLC22A6GAAHTTRECQLTSHR
SCHEMBL3238307 0.77 GAA (0.34) TDP1GAAHTTRECQLTSHR
SCHEMBL6056743 0.76 GAA (0.39) GAAHTTRECQLMAPTMMP12
SCHEMBL2914706 0.75 SLC22A6 (0.52) SLC22A6TDP1SMN1; SMN2LMNAMAPT
SCHEMBL2914699 0.75 SLC22A6 (0.52) SLC22A6TDP1SMN1; SMN2LMNAMAPT
SCHEMBL3692336 0.74 MMP12 (0.47) SLC22A6ALOX15TDP1SMN1; SMN2LMNA
SCHEMBL122205 0.74
SCHEMBL99435 0.72 TSHR (0.48) LMNAGAAHTTRECQLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1619192-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2009-12-30 EP disclosed
EP-1383733-B1 PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES AND ARYL-FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2008-03-05 EP disclosed
CN-1321107-C Process for the preparatino of 1,3-substituted indenes and aryl-fused azapolycyclic compounds PFIZER PROD INC (US) 2007-06-13 CN disclosed
US-7205300-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2007-04-17 US disclosed
US-7186870-B2 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic compounds PFIZER INC (US) 2007-03-06 US disclosed
US-7144882-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2006-12-05 US disclosed
US-7091372-B2 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic compounds PFIZER INC (US) 2006-08-15 US disclosed
CN-1263745-C Aryl fused azapolycyclic compounds PFIZER PROD INC (US) 2006-07-12 CN disclosed
EP-1259489-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2006-06-07 EP disclosed
US-20060079707-A1 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic compounds PFIZER INC 2006-04-13 US disclosed
EP-1619192-A2 Aryl fused azapolycyclic compounds Pfizer Products Inc. (US) 2006-01-25 EP disclosed
CN-1503781-A Process for preparing 1, 3-substituted indenes and aryl-fused azapolycyclic compounds �Ʒ� 2004-06-09 CN disclosed
EP-1383733-A2 PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES AND ARYL-FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2004-01-28 EP disclosed
US-6605610-B1 Reducing nicotine addiction; treating neurological and psychological disorders PFIZER INC 2003-08-12 US disclosed
US-20030130260-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2003-07-10 US disclosed
US-20030060624-A1 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic componunds PFIZER INC. 2003-03-27 US disclosed
CN-1406227-A aryl fused azapolycyclic compounds PFIZER PROD INC (US) 2003-03-26 CN disclosed
EP-1259489-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2002-11-27 EP disclosed
WO-2002085843-A2 PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES AND ARYL-FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2002-10-31 WO disclosed
WO-2001062736-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2001-08-30 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 (3 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-20030130260-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A SLC22A6 2338/4885ALOX15 2846/4885TDP1 1128/4885
US-20060079707-A1 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic compounds CYP1B1, AZI2, CYP1A1 SLC22A6 3780/4885ALOX15 2936/4885TDP1 2442/4885
US-20030060624-A1 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic componunds INTS6, CYP1B1, CYP1A2 SLC22A6 4283/4885ALOX15 2626/4885TDP1 3150/4885

“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.