SCHEMBL13330692

SCHEMBL13330692

C(#Cc1ccc2c(c1)c1cc(C#Cc3ccccc3)ccc1c1nccnc21)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.46
IP6K3 Q96PC2 1/20 0.46
IP6K2 Q9UHH9 1/20 0.46
APP P05067 1/20 0.44
GRM5 P41594 6/20 0.41
GRM4 Q14833 3/20 0.41
MAPT P10636 1/20 0.41
ASIC3 Q9UHC3 2/20 0.41
HNF4A P41235 1/20 0.39

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
SCHEMBL29787236 0.72 APP (0.52) IP6K1IP6K3IP6K2APPGRM5
SCHEMBL11932672 0.71 MKNK1 (0.46)
SCHEMBL2114741 0.69 APP (0.92) APPGRM5MAPTHNF4A
Diphenylacetylene SCHEMBL27628902 0.69 APP (0.92) APPGRM5MAPTASIC3HNF4A
SCHEMBL12722831 0.68 MKNK1 (0.44)
SCHEMBL13330735 0.68 MKNK1 (0.40)
SCHEMBL2620733 0.68 GRM5 (0.54) IP6K1IP6K3IP6K2APPGRM5
SCHEMBL18674393 0.68 GRM5 (0.49) GRM5
SCHEMBL713323 0.67 L3MBTL1 (0.52) MAPT
SCHEMBL6364777 0.67 APP (0.75) APPGRM5MAPTASIC3HNF4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353065-B2 Heterocyclic bridged biphenyls BASF SE (DE) 2016-05-31 US disclosed
US-9353065-B2 Heterocyclic bridged biphenyls BASF SE (DE) 2016-05-31 US disclosed
EP-2125752-B1 HETEROCYCLIC BRIDGED BIPHENYLS BASF SE (DE) 2015-08-12 EP disclosed
US-20100109514-A1 HETEROCYCLIC BRIDGED BIPHENYLS UDC IRELAND LIMITED (IE) 2010-05-06 US disclosed
US-20100109514-A1 HETEROCYCLIC BRIDGED BIPHENYLS UDC IRELAND LIMITED (IE) 2010-05-06 US disclosed
WO-2008119666-A1 HETEROCYCLIC BRIDGED BIPHENYLS BASF SE (CH) 2008-10-09 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-20100109514-A1 HETEROCYCLIC BRIDGED BIPHENYLS OCIAD1, SBDS, OCIAD2 IP6K1 1212/4885IP6K3 1890/4885IP6K2 1196/4885

“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.