SCHEMBL13968024

SCHEMBL13968024

CCOC(=O)C(CC(C)C)c1cc(C)c(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.68
PSEN1 P49768 4/20 0.44
PSEN2 P49810 4/20 0.44
APH1B Q8WW43 4/20 0.44
NCSTN Q92542 4/20 0.44
APH1A Q96BI3 4/20 0.44
PSENEN Q9NZ42 4/20 0.44
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
CNR1 P21554 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ACACB O00763 1/20 0.36
MGLL Q99685 1/20 0.35
KCNH2 Q12809 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
FFAR1 O14842 1/20 0.34
POLB P06746 1/20 0.34
MAPK14 Q16539 2/20 0.34
IDH1 O75874 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
SCHEMBL3657585 0.92 APP (0.67) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL8030731 0.92 APP (0.67) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL8035208 0.91 APP (0.82) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3660454 0.91 APP (0.66) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3660608 0.91 APP (0.66) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL13968025 0.91 APP (0.81) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL14679104 0.91 APP (0.63) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3660424 0.90 APP (0.64) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3654976 0.90 APP (0.64) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL10301254 0.89 APP (0.63) APPPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364641-A1 Tetrasubstituted Benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2014-12-11 US disclosed
US-8664249-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130165486-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-8367863-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20120295981-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2012-11-22 US 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 (3 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-20140364641-A1 Tetrasubstituted Benzenes BACE1, BACE2, PSEN1 APP 5/4885PSEN1 3/4885PSEN2 4/4885
US-20120295981-A1 TETRASUBSTITUTED BENZENES BACE1, BACE2, PSEN1 APP 5/4885PSEN1 3/4885PSEN2 4/4885
US-20130165486-A1 TETRASUBSTITUTED BENZENES BACE1, BACE2, PSEN1 APP 5/4885PSEN1 3/4885PSEN2 4/4885

“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.