SCHEMBL1767648

SCHEMBL1767648

CCOc1ccc(C(O)c2cc(I)ccc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 2/20 0.41
NQO1 P15559 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
SLC5A2 P31639 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
FFAR1 O14842 4/20 0.37
FFAR4 Q5NUL3 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
EGFR P00533 1/20 0.37
LCK P06239 1/20 0.37

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
SCHEMBL1767736 0.83 MAPT (0.47) L3MBTL1LMNANQO1MEN1KMT2A
SCHEMBL28452086 0.82 NQO1 (0.39) L3MBTL1LMNANQO1MEN1KMT2A
SCHEMBL19867565 0.80 NQO1 (0.37) L3MBTL1NQO1MEN1KMT2ATDP1
SCHEMBL19867567 0.79 LMNA (0.50) L3MBTL1LMNANQO1MEN1KMT2A
SCHEMBL21611185 0.79 CYP3A4 (0.37) MEN1KMT2ATDP1TSHRKDM4E
SCHEMBL9114461 0.76 NQO1 (0.64) L3MBTL1LMNANQO1MEN1KMT2A
SCHEMBL19867421 0.76 TP53 (0.43) L3MBTL1LMNAMEN1KMT2AALDH1A1
SCHEMBL19334270 0.74 SLC6A2 (0.33) FFAR1
SCHEMBL19867463 0.74 P4HB (0.43) L3MBTL1LMNAMEN1KMT2AALDH1A1
SCHEMBL19867461 0.73 MEN1 (0.41) L3MBTL1LMNAMEN1KMT2AALDH1A1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9439901-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-09-13 US disclosed
US-9439901-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-09-13 US disclosed
US-9439902-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-09-13 US disclosed
US-9439902-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-09-13 US disclosed
US-9439902-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-09-13 US disclosed
US-9308204-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-04-12 US disclosed
US-9308204-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-04-12 US disclosed
US-9308204-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-04-12 US disclosed
US-20150065512-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2015-03-05 US disclosed
US-20150065513-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2015-03-05 US disclosed
US-8669380-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2014-03-11 US disclosed
US-20130225487-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2013-08-29 US disclosed
US-20130225487-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2013-08-29 US disclosed
US-20130225487-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2013-08-29 US disclosed
EP-2496583-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES Pfizer Inc. (US) 2012-09-12 EP disclosed
US-20120184486-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. 2012-07-19 US disclosed
US-20120184486-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. 2012-07-19 US disclosed
US-20120184486-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. 2012-07-19 US disclosed
WO-2011051864-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2011-05-05 WO disclosed
WO-2011051864-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2011-05-05 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 (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-20150065512-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 L3MBTL1 3622/4885LMNA 4031/4885NQO1 2731/4885
US-20120184486-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 L3MBTL1 3622/4885LMNA 4031/4885NQO1 2731/4885
US-20130225487-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 L3MBTL1 3622/4885LMNA 4031/4885NQO1 2731/4885
US-20150065513-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 L3MBTL1 3622/4885LMNA 4031/4885NQO1 2731/4885

“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.