SCHEMBL3282334

SCHEMBL3282334

CCCCC1CCC(C(=O)Oc2ccc(C#N)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.51
▸ POLB P06746 1/20 0.49
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ F2 P00734 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ ELANE P08246 1/20 0.41
▸ UBE2N P61088 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL11159668 1.00 MGLL (0.51) MGLLPOLBHTTKMT2ASMN1; SMN2
SCHEMBL3279736 0.96 MGLL (0.48) MGLLPOLBHTTKMT2ASMN1; SMN2
SCHEMBL8052312 0.96 MGLL (0.51) MGLLPOLBHTTKMT2ASMN1; SMN2
SCHEMBL5348508 0.96 MGLL (0.51) MGLLPOLBHTTKMT2ASMN1; SMN2
SCHEMBL10958018 0.95 MGLL (0.53) MGLLPOLBHTTKMT2ASMN1; SMN2
SCHEMBL10658773 0.95 MGLL (0.53) MGLLPOLBHTTKMT2ASMN1; SMN2
SCHEMBL10658764 0.95 MGLL (0.53) MGLLPOLBHTTKMT2ASMN1; SMN2
SCHEMBL10614061 0.94 F2 (0.48) MGLLPOLBHTTKMT2ASMN1; SMN2
SCHEMBL13367304 0.93 MGLL (0.46) MGLLPOLBHTTKMT2ASMN1; SMN2
SCHEMBL12736588 0.93 MGLL (0.46) MGLLPOLBKMT2ASMN1; SMN2RXFP1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4389329-A Meterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 1983-06-21 — — US claimed
EP-0014885-B1 CYCLOHEXYLPYRIMIDINES, THEIR PREPARATION AND USE, AS WELL AS LIQUID CRYSTALS MIXTURES AND ELECTRO-OPTICAL APPARATUSES CONTAINING THESE COMPOUNDS AND THEIR PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-06-15 — — EP claimed
US-4364838-A Liquid crystal mixtures HOFFMANN-LA ROCHE INC. (US) 1982-12-21 — — US claimed
US-4358393-A MODULATORS FOR ELECTROOPTICAL APPARATUS; DISPLAYING; HIGH TEMPERATURE VEB WERK FUR FERNSEHELEKTRONIK IM VEB KOMBINAT MIKROELEKTRONIK (DD) 1982-11-09 — — US claimed
US-4348298-A WITH DICHROIC DYESTUFF VEB WERK FUR FERNSEHELEKTRONIK IM VEB KOMBINAT MIKROELEKTRONIK (DD) 1982-09-07 — — US claimed
US-4323472-A ELECTROOPTICAL DISPLAY TIMEX CORPORATION (US) 1982-04-06 — — US claimed
US-7923078-B2 Light-modulating liquid-crystal element ADEKA CORPORATION (JP) 2011-04-12 — — US disclosed
US-7700615-B2 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2010-04-20 — — US disclosed
US-20090279043-A1 LIGHT-MODULATING LIQUID-CRYSTAL ELEMENT ADEKA CORPORATION (JP) 2009-11-12 — — US disclosed
EP-1576110-A4 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2007-11-07 — — EP disclosed
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. 2006-06-15 — — US disclosed
US-7012100-B1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2006-03-14 — — US disclosed
EP-1576110-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER Avolix Pharmaceuticals (US) 2005-09-21 — — EP disclosed
US-4391731-A Hydrogenated naphthalenes HOFFMANN-LA ROCHE INC. (US) 1983-07-05 — — US disclosed
US-4389329-A Meterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 1983-06-21 — — US disclosed
US-4364838-A Liquid crystal mixtures HOFFMANN-LA ROCHE INC. (US) 1982-12-21 — — US disclosed
US-4358589-A TETRAZINES VEB WERK FUR FERNSEHELEKTRONIK IM VEB KOMBINAT MIKROELEKTRONIK (DD) 1982-11-09 — — US disclosed
US-4358393-A MODULATORS FOR ELECTROOPTICAL APPARATUS; DISPLAYING; HIGH TEMPERATURE VEB WERK FUR FERNSEHELEKTRONIK IM VEB KOMBINAT MIKROELEKTRONIK (DD) 1982-11-09 — — US disclosed
US-4348298-A WITH DICHROIC DYESTUFF VEB WERK FUR FERNSEHELEKTRONIK IM VEB KOMBINAT MIKROELEKTRONIK (DD) 1982-09-07 — — US disclosed
US-4273929-A Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 1981-06-16 — — 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-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer MKI67, DCX, NUDC MGLL 2307/4885POLB 831/4885HTT 4469/4885

“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.

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