SCHEMBL663655

SCHEMBL663655

C=CCOc1cc(C=O)cc(OCC=C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA9 Q16790 5/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
MAOA P21397 1/20 0.36

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
SCHEMBL13836564 0.96 CA12 (0.42) CA12CA1CA9CA2CA7
SCHEMBL2524244 0.87 KAT6A (0.40) CA12CA1CA9CA2CA7
SCHEMBL18614954 0.84 MEN1 (0.36) CA12CA1CA9CA2CA7
SCHEMBL3818350 0.84 MAPT (0.47) CA12CA1CA9CA2CA7
SCHEMBL4877310 0.83 FFAR1 (0.43) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL29549500 0.81 MAOA (0.58) MEN1KMT2AMAOAMAOBNPC1
SCHEMBL429910 0.81 MAOA (0.58) MEN1KMT2AMAOAMAOBNPC1
SCHEMBL2531150 0.79 ALDH1A1 (0.45) CA12CA1CA9CA2CA7
SCHEMBL268446 0.79 CA12 (0.55) CA12CA1CA9CA2CA7
SCHEMBL2850824 0.76 ERN1 (0.45) CA12CA1CA9CA2CA7

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-20130315989-A1 METHOD FOR TREATING A PATIENT VIA PHOTODYNAMIC THERAPY COMPRISING A MACROMOLECULAR CAPSULE POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2013-11-28 US disclosed
US-20120045516-A1 COMPOSITION FOR PHOTODYNAMIC THERAPY COMPRISING A MACROMOLECULAR CAPSULE POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2012-02-23 US disclosed
US-6974857-B1 End-capped quinoxaline-containing hyperbranched aromatic poly(ether-ketones) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2005-12-13 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 (2 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-20130315989-A1 METHOD FOR TREATING A PATIENT VIA PHOTODYNAMIC THERAPY COMPRISING A MACROMOLECULAR CAPSULE TYR, CD47, PPOX CA12 252/4885CA1 3669/4885CA9 181/4885
US-20120045516-A1 COMPOSITION FOR PHOTODYNAMIC THERAPY COMPRISING A MACROMOLECULAR CAPSULE APC, TYR, CD47 CA12 647/4885CA1 4076/4885CA9 584/4885

“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.