SCHEMBL1419922

SCHEMBL1419922

CC1(C)OC(c2ccc(OCc3ccccc3)cc2)=CC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.51
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48
PTPN1 P18031 1/20 0.46
MAOB P27338 4/20 0.45
HPGD P15428 2/20 0.45
GRM2 Q14416 1/20 0.45
MAOA P21397 1/20 0.45
BCHE P06276 1/20 0.44
DRD2 P14416 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL286520 0.76 HPGD (0.55) PTPN1HPGDDRD2SIGMAR1LMNA
SCHEMBL1420248 0.74 GSTP1 (0.49) GSTP1MMP2MMP13PTPN1MAOB
SCHEMBL197017 0.72 LMNA (0.72) GSTP1MAOBMAOABCHELMNA
SCHEMBL17224047 0.71 GSTP1 (0.49) GSTP1MMP2MMP13PTPN1MAOB
SCHEMBL1419896 0.71 GSTP1 (0.46) GSTP1MMP2MMP13MAOBBCHE
SCHEMBL3103917 0.70 GLA (0.66) GSTP1MMP2MMP13MAOBGRM2
SCHEMBL23483029 0.70 LMNA (0.69) GSTP1MAOBMAOABCHELMNA
SCHEMBL1096817 0.70 LMNA (0.69) GSTP1MAOBMAOABCHELMNA
SCHEMBL10609652 0.70 LMNA (0.75) MAOBMAOABCHELMNACYP1A2
SCHEMBL339813 0.70 LMNA (0.82) GSTP1MAOBMAOABCHELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297133-B1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS FORUM PHARMACEUTICALS INC (US) 2017-09-13 EP disclosed
EP-2297133-B1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS FORUM PHARMACEUTICALS INC (US) 2017-09-13 EP disclosed
US-9265767-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2016-02-23 US disclosed
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2015-10-01 US disclosed
US-8933074-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-01-13 US disclosed
US-20140011808-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2014-01-09 US disclosed
US-8466148-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-06-18 US disclosed
US-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. 2012-09-13 US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
EP-2297133-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS Envivo Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
WO-2009158393-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 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 (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-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A GSTP1 798/4885MMP2 1071/4885MMP13 1234/4885
US-20140011808-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS PDE12, PDE7A, PDE10A GSTP1 798/4885MMP2 1071/4885MMP13 1234/4885
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS PDE12, PDE7A, PDE10A GSTP1 798/4885MMP2 1071/4885MMP13 1234/4885
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A GSTP1 798/4885MMP2 1071/4885MMP13 1234/4885

“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.