SCHEMBL3107066

SCHEMBL3107066

COC(=O)c1ccc(OC(c2cc(C)oc2C)C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 4/20 0.41
EPHX2 P34913 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
EPHX1 P07099 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
ADCY1 Q08828 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ATM Q13315 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
SCHEMBL3110289 0.89 KMT2A (0.43) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL3095590 0.86 MMP13 (0.44) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL3105173 0.84 SMN1; SMN2 (0.38) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL3095547 0.82 ALDH1A1 (0.45) SMN1; SMN2HPGDRAB9AALDH1A1MEN1
SCHEMBL3101722 0.82 GCG (0.51) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL3098734 0.82 KDM4E (0.39) SMN1; SMN2HPGDNPC1RAB9AMEN1
SCHEMBL3098670 0.82 KDM4E (0.39) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL3109825 0.81 SLC2A1 (0.43) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL3106857 0.77 ALDH1A1 (0.44) SMN1; SMN2HPGDRAB9AALDH1A1MEN1
SCHEMBL3110011 0.76 SMN1; SMN2 (0.45) SMN1; SMN2HPGDNPC1RAB9AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 EP 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR SMN1; SMN2 4692/4885HPGD 1354/4885NPC1 3994/4885

“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.