SCHEMBL8079101

SCHEMBL8079101

COc1cc(C(O)c2c(OC)cnn(C(C)c3ccccc3)c2=O)ccc1-n1ccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
ROCK2 O75116 2/20 0.37
KMT2A Q03164 1/20 0.36
CREBBP Q92793 1/20 0.36
POLB P06746 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
CGAS Q8N884 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL8069669 0.85 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12712478 0.83 PDE4A (0.35) CYP19A1CYP11B1CYP11B2ROCK2
SCHEMBL8083880 0.82 AAK1 (0.42) CYP19A1CYP11B1CYP11B2AAK1ROCK2
SCHEMBL8738604 0.71 CYP19A1 (0.57) CYP19A1CYP11B1CYP11B2AAK1POLB
SCHEMBL12712484 0.70 PDE4A (0.47)
SCHEMBL6127820 0.68 CYP11B1 (0.53) CYP19A1CYP11B1CYP11B2AAK1POLB
SCHEMBL12712471 0.68 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8069673 0.67 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8070672 0.67 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7826439 0.67 FAAH (0.47) ROCK2KMT2ACREBBPPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
WO-2009032277-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-03-12 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-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP19A1 1488/4885CYP11B1 1738/4885CYP11B2 2376/4885

“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.