SCHEMBL13582001

SCHEMBL13582001

C#Cc1ccc(C2=C(c3ccc(C#Cc4ccccc4)cc3)C(c3ccc(C#Cc4ccccc4)cc3)=C(c3ccc(C#C)cc3)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA1 P00915 2/20 0.42
MAPT P10636 1/20 0.39
FFAR1 O14842 4/20 0.38
GRM5 P41594 2/20 0.38
CYP2C9 P11712 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CA4 P22748 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NPC1 O15118 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PTGS1 P23219 1/20 0.35

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
SCHEMBL13582396 1.00 APP (0.43) APPCA12CA2CA9CA1
SCHEMBL13581864 0.98 APP (0.41) APPCA12CA2CA9CA1
SCHEMBL13582298 0.92 FFAR1 (0.40) APPCA12CA2CA9CA1
SCHEMBL13582392 0.91 KCNH2 (0.40) APPCA12CA2CA9CA1
SCHEMBL5521992 0.91 FFAR1 (0.39) APPCA12CA2CA9CA1
SCHEMBL13581991 0.91 FFAR1 (0.40) APPCA12CA2CA9CA1
SCHEMBL13582120 0.91 FFAR1 (0.40) APPCA12CA2CA9CA1
SCHEMBL13581998 0.91 FFAR1 (0.40) APPCA12CA2CA9CA1
SCHEMBL6671636 0.91 ESR1 (0.42) CA12CA2CA9CA1MAPT
SCHEMBL5525269 0.91 APP (0.52) APPCA12CA2CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626059-B2 Multifunctional ethynyl substituted monomers and polyarylene compositions therefrom DOW GLOBAL TECHNOLOGIES INC. 2009-12-01 US disclosed
US-20090012193-A1 Multifunctional Ethynyl Substituted Monomers and Polyarylene Compositions Therefrom DOW GLOBAL TECHNOLOGIES LLC 2009-01-08 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 (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-20090012193-A1 Multifunctional Ethynyl Substituted Monomers and Polyarylene Compositions Therefrom WEE2, WASF2, WEE1 APP 3477/4885CA12 4304/4885CA2 4378/4885

“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.