Sugi Predict

Sugi Predict / Compounds / SCHEMBL3068808

SCHEMBL3068808

SCHEMBL3068808

C=C(C)C(C)C(C)CCCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ DNM1 Q05193 2/20 0.33
▸ FDPS P14324 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ CA1 P00915 2/20 0.31
▸ SPHK1 Q9NYA1 1/20 0.31
▸ SLC15A1 P46059 1/20 0.31
▸ TP53 P04637 1/20 0.30

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
SCHEMBL11973508 0.91 SPHK1 (0.42) MEN1CYP3A4KMT2AFDPSTSHR
SCHEMBL19394028 0.86 MEN1 (0.32) ALDH1A1MEN1CYP3A4KMT2ADNM1
SCHEMBL8751399 0.85 METAP1 (0.37) TSHR
SCHEMBL11393539 0.81 — —
SCHEMBL25774534 0.79 GABBR2 (0.32) —
SCHEMBL2116722 0.77 ALDH1A1 (0.34) ALDH1A1
SCHEMBL1783613 0.76 CA2 (0.41) FDPSCA2MAPK1CA1SLC15A1
SCHEMBL18868092 0.76 KISS1R (0.43) —
SCHEMBL1285149 0.75 — —
SCHEMBL20646644 0.74 MEN1 (0.31) ALDH1A1MEN1CYP3A4KMT2A

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
CN-103328581-B Shaped body 三井化学株式会社 2016-11-02 — — CN disclosed
US-20100267908-A1 Catalyst for olefin polymerization, process for producing olefin polymer, olefin copolymer, novel transition metal compound, and process for producing transition metal compound MITSUI CHEMICALS, INC. 2010-10-21 — — US disclosed
US-20070260026-A1 Catalyst for Olefin Polymerization Process for Producing Olefin Polymer, Olefin Copolymer, Novel Transition Metal Compound, and Process for Producing Transition Metal Compound MITSUI CHEMICALS, INC. 2007-11-08 — — US disclosed
EP-1788002-A1 CATALYSTS FOR OLEFIN POLYMERIZATION, PROCESS FOR PRODUCTION OF OLEFIN POLYMERS, OLEFIN COPOLYMERS, NOVEL TRANSITION METAL COMPOUNDS, AND PROCESS FOR PRODUCTION OF TRANSITION METAL COMPOUNDS Mitsui Chemicals, Inc. (JP) 2007-05-23 — — EP 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-20100267908-A1 Catalyst for olefin polymerization, process for producing olefin polymer, olefin copolymer, novel transition metal compound, and process for producing transition metal compound RB1, POF1B, CCNA1 ALDH1A1 3203/4885MEN1 1839/4885CYP3A4 532/4885
US-20070260026-A1 Catalyst for Olefin Polymerization Process for Producing Olefin Polymer, Olefin Copolymer, Novel Transition Metal Compound, and Process for Producing Transition Metal Compound POF1B, RB1, CCNA1 ALDH1A1 3324/4885MEN1 1749/4885CYP3A4 785/4885

“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.