SCHEMBL5587434

SCHEMBL5587434

CC(C)c1cccc(C(C)C)c1N=Cc1cnccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.38
TAAR1 Q96RJ0 1/20 0.34
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NR4A1 P22736 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALOX5 P09917 1/20 0.33
MAOA P21397 2/20 0.33
TSHR P16473 2/20 0.32
HPGD P15428 2/20 0.32
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL5590685 0.98 CTH (0.37) CTHTAAR1RAB9AKMT2ANR4A1
SCHEMBL5588679 0.92 CTH (0.35) CTHTAAR1RAB9AKMT2ANR4A1
SCHEMBL5589474 0.90 CTH (0.34) CTHTAAR1RAB9AKMT2ATSHR
SCHEMBL5588823 0.84 CTH (0.37) CTH
SCHEMBL5588900 0.82 CTH (0.36) CTH
SCHEMBL3682352 0.81 NR4A1 (0.54) CTHRAB9AKMT2ANR4A1MAOA
SCHEMBL32490152 0.81 NR4A1 (0.54) CTHRAB9AKMT2ANR4A1MAOA
SCHEMBL30931819 0.81 NR4A1 (0.54) CTHRAB9AKMT2ANR4A1MAOA
SCHEMBL3682351 0.81 NR4A1 (0.54) CTHRAB9AKMT2ANR4A1MAOA
SCHEMBL5589850 0.80 NR4A1 (0.53) CTHRAB9AKMT2ANR4A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103480415-B Preparation method and application of Pd complex-phosphomolybdic acid one-component dual-active-center catalyst BEIJING INST TECHNOLOGY 2015-04-15 CN disclosed
CN-103480417-B Preparation method and application of Pb complex-vanadate substituted phosphomolybdic acid one-component dual-active-center catalyst BEIJING INST TECHNOLOGY 2015-02-11 CN disclosed
CN-103480415-A Preparation method and application of Pd complex-phosphomolybdic acid one-component dual-active-center catalyst BEIJING INST TECHNOLOGY 2014-01-01 CN disclosed
CN-103480417-A Preparation method and application of Pb complex-vanadate substituted phosphomolybdic acid one-component dual-active-center catalyst BEIJING INST TECHNOLOGY 2014-01-01 CN disclosed
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 CTH 2578/4885TAAR1 2284/4885RAB9A 4633/4885

“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.