SCHEMBL13686458

SCHEMBL13686458

O=C1C(c2ccc(C#Cc3ccccc3)cc2)=C(c2ccc(C#Cc3ccccc3)cc2)C(c2ccc(Oc3ccc(C4=C(c5ccc(C#Cc6ccccc6)cc5)C(=O)C(c5ccc(C#Cc6ccccc6)cc5)=C4c4ccc(Oc5ccc(C6=C(c7ccc(C#Cc8ccccc8)cc7)C(=O)C(c7ccc(C#Cc8ccccc8)cc7)=C6c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)=C1c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.43
▸ MMP3 P08254 2/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ FFAR1 O14842 2/20 0.42
▸ GSTP1 P09211 1/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ HAO1 Q9UJM8 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ SLK Q9H2G2 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ APP P05067 1/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ BCL2L1 Q07817 1/20 0.38
▸ MCL1 Q07820 1/20 0.38

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
SCHEMBL13686487 1.00 MMP2 (0.43) MMP2MMP3MMP13FFAR1GSTP1
SCHEMBL14618777 1.00 MMP2 (0.43) MMP2MMP3MMP13FFAR1GSTP1
SCHEMBL14094727 1.00 MMP2 (0.43) MMP2MMP3MMP13FFAR1GSTP1
SCHEMBL14163869 1.00 MMP2 (0.43) MMP2MMP3MMP13FFAR1GSTP1
SCHEMBL13586798 1.00 MMP2 (0.43) MMP2MMP3MMP13FFAR1GSTP1
SCHEMBL13586781 1.00 MMP2 (0.43) MMP2MMP3MMP13FFAR1GSTP1
SCHEMBL14231628 1.00 MMP2 (0.43) MMP2MMP3MMP13FFAR1GSTP1
SCHEMBL12325299 1.00 MMP2 (0.43) MMP2MMP3MMP13FFAR1GSTP1
SCHEMBL14163865 1.00 MMP2 (0.43) MMP2MMP3MMP13FFAR1GSTP1
SCHEMBL14163827 1.00 MMP2 (0.43) MMP2MMP3MMP13FFAR1GSTP1

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-7585928-B2 monomers of acetylenic homo- or copolymers; cured polymers has low dielectric constant as insulating layers in microelectronic devices DOW GLOBAL TECHNOLOGIES (US) 2009-09-08 — — US disclosed
US-20070027278-A1 Multifunctional monomers containing bound mesogenic poragen forming moieties and polyarylene compositions therefrom DOW GLOBAL TECHNOLOGIES LLC 2007-02-01 — — 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-20070027278-A1 Multifunctional monomers containing bound mesogenic poragen forming moieties and polyarylene compositions therefrom LRBA, CD74, BMP2 MMP2 1610/4885MMP3 2322/4885MMP13 797/4885

“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.

Send feedback