Sugi Predict

Sugi Predict / Compounds / SCHEMBL17190983

SCHEMBL17190983

SCHEMBL17190983

CON=C1CCCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ LMNA P02545 1/20 0.55
▸ MAPT P10636 7/20 0.55
▸ L3MBTL1 Q9Y468 5/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ PLA2G1B P04054 1/20 0.55
▸ ATG4B Q9Y4P1 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ PKM P14618 1/20 0.54
▸ CASP3 P42574 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ G6PC1 P35575 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46

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
SCHEMBL13167840 1.00 ALDH1A1 (0.56) ALDH1A1LMNAMAPTL3MBTL1MEN1
SCHEMBL17190976 0.96 L3MBTL1 (0.59) ALDH1A1LMNAMAPTL3MBTL1MEN1
SCHEMBL11886413 0.89 SMN1; SMN2 (0.46) ALDH1A1LMNAMAPTL3MBTL1MEN1
SCHEMBL788630 0.89 SMN1; SMN2 (0.46) ALDH1A1LMNAMAPTL3MBTL1MEN1
SCHEMBL10192543 0.89 SMN1; SMN2 (0.46) ALDH1A1LMNAMAPTL3MBTL1MEN1
SCHEMBL7100469 0.81 ALDH1A1 (0.52) ALDH1A1LMNAMAPTL3MBTL1MEN1
SCHEMBL13130690 0.81 ALDH1A1 (0.51) ALDH1A1LMNAMAPTL3MBTL1MEN1
SCHEMBL16489784 0.79 L3MBTL1 (0.60) ALDH1A1LMNAMAPTL3MBTL1MEN1
SCHEMBL12911265 0.79 L3MBTL1 (0.60) ALDH1A1LMNAMAPTL3MBTL1MEN1
SCHEMBL16489779 0.79 L3MBTL1 (0.60) ALDH1A1LMNAMAPTL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227018-B1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS UNIV VIRGINIA COMMONWEALTH (US) 2021-06-30 — — EP disclosed
CN-107835800-B Cyclic compound 武田药品工业株式会社 2019-11-26 — — CN disclosed
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-06-19 — — US disclosed
EP-3294706-A1 CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2018-03-21 — — EP disclosed
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS VIRGINIA COMMONWEALTH UNIVERSITY 2017-12-21 — — US disclosed
US-9828357-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-11-28 — — US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 — — US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 — — US disclosed
US-9611244-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-04 — — US disclosed
US-20170066737-A1 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 — — US disclosed
US-9533966-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-03 — — US disclosed
WO-2016182036-A1 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-17 — — WO disclosed
US-20160326102-A1 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-10 — — US disclosed
US-20160326133-A1 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-10 — — US disclosed
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 — — US disclosed
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 — — 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 (6 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-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS WASF2, SCO2, SOD1 ALDH1A1 2424/4885LMNA 3565/4885MAPT 2594/4885
US-20160326102-A1 CYCLIC COMPOUNDS TLR4, TLR3, TLR1 ALDH1A1 698/4885LMNA 3526/4885MAPT 2839/4885
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts WASF2, SOD1, CD274 ALDH1A1 2403/4885LMNA 3454/4885MAPT 2583/4885
US-20160326133-A1 CYCLIC COMPOUNDS TLR4, TLR3, TLR1 ALDH1A1 698/4885LMNA 3526/4885MAPT 2839/4885
US-20170066737-A1 CYCLIC COMPOUNDS TLR4, TLR3, TLR1 ALDH1A1 668/4885LMNA 3491/4885MAPT 2703/4885
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF RTN3, CYCS, ATL3 ALDH1A1 3212/4885LMNA 2902/4885MAPT 3805/4885

“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.