SCHEMBL3448095

SCHEMBL3448095

O=C1OC(=O)c2cc(Oc3ccc(C#Cc4ccccc4)cc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.51
▸ MAOB P27338 5/20 0.51
▸ GRM5 P41594 5/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ FFAR1 O14842 2/20 0.41
▸ GSTP1 P09211 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL15327084 0.95 MAOA (0.47) MAOAMAOBGRM5L3MBTL1TDP1
SCHEMBL3447013 0.91 MAOA (0.49) MAOAMAOBGRM5L3MBTL1TDP1
SCHEMBL31634592 0.87 MAOA (0.66) MAOAMAOBL3MBTL1TDP1MAPT
SCHEMBL2828515 0.87 MAOA (0.66) MAOAMAOBL3MBTL1TDP1MAPT
SCHEMBL10414698 0.87 MAOA (0.66) MAOAMAOBL3MBTL1TDP1MAPT
SCHEMBL30970619 0.85 MAOA (0.56) MAOAMAOBL3MBTL1TDP1MAPT
SCHEMBL1501398 0.85 MAOA (0.56) MAOAMAOBL3MBTL1TDP1MAPT
SCHEMBL84254 0.85 MAOA (0.56) MAOAMAOBL3MBTL1TDP1MAPT
SCHEMBL72823 0.83 GRM5 (0.66) GRM5TDP1MAPTALOX15
SCHEMBL42261 0.83 MAOA (0.53) MAOAMAOBL3MBTL1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100059261-A1 REACTIVE MONOMER AND RESIN COMPOSITION CONTAINING SAME AMT LABORATORY CO., LTD. (JP) 2010-03-11 — — US disclosed
US-5760168-A CONTROLLED MOLECULAR WEIGHT; FILMS, MOLDINGS, ADHESIVES, COMPOSITES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AEUONAUTICS AND SPACE ADMINISTRATION (US) 1998-06-02 — — US disclosed
US-5681967-A ENDCAPPING POLYAMIC ACIDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1997-10-28 — — US disclosed
US-5567800-A MOLECULAR WEIGHT CONTROLLED AROMATIC POLYIMIDES; ELONGATION, HIGH GLASS TRANSITION TEMPERATURE, TOUGHNESS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1996-10-22 — — 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 (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-20100059261-A1 REACTIVE MONOMER AND RESIN COMPOSITION CONTAINING SAME RAD51, ACTR2, ARID2 MAOA 2552/4885MAOB 1863/4885GRM5 893/4885

“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