Sugi Predict

Sugi Predict / Compounds / SCHEMBL2718641

SCHEMBL2718641

SCHEMBL2718641

CCCCC(CC)Cc1cccc(C2C=CC(c3ccc(OCC4CO4)cc3)C=C2)c1OCC1CO1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ TDP1 Q9NUW8 1/20 0.35
▸ TP53 P04637 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PKM P14618 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2720669 0.88 ALDH1A1 (0.38) ALDH1A1TDP1TP53TSHRHIF1A
SCHEMBL2718530 0.87 ALDH1A1 (0.38) ALDH1A1TDP1TP53TSHRHIF1A
SCHEMBL2721168 0.84 TDP1 (0.39) ALDH1A1TDP1TP53TSHRHIF1A
SCHEMBL2719344 0.84 TDP1 (0.39) ALDH1A1TDP1TP53TSHRHIF1A
SCHEMBL2829583 0.83 ALDH1A1 (0.41) ALDH1A1TDP1TP53TSHRHIF1A
SCHEMBL2720095 0.81 ALDH1A1 (0.41) ALDH1A1TDP1TP53TSHRHIF1A
SCHEMBL2720601 0.78 ALDH1A1 (0.34) ALDH1A1TDP1TP53TSHRHIF1A
SCHEMBL2718675 0.77 ALDH1A1 (0.38) ALDH1A1TDP1TP53TSHRHIF1A
SCHEMBL2721347 0.77 ALDH1A1 (0.34) ALDH1A1TDP1TP53TSHRHIF1A
SCHEMBL2719752 0.76 ALDH1A1 (0.37) ALDH1A1TDP1TP53TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101400664-B Method for crystallization of epoxy compound SUMITOMO CO LTD 2012-09-05 — — CN disclosed
EP-1995245-B1 METHOD FOR PRODUCING EPOXY COMPOUND SUMITOMO CHEMICAL CO (JP) 2012-05-02 — — EP disclosed
US-20090054669-A1 Process For Producing Epoxy Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-26 — — US disclosed
US-20090018355-A1 Process for Crystallizing an Epoxy Compound SUMITOMO CHEMICAL COMPANY, LTD. 2009-01-15 — — US disclosed
EP-1995245-A1 METHOD FOR PRODUCING EPOXY COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-11-26 — — EP disclosed
EP-1995244-A1 METHOD FOR CRYSTALLIZATION OF EPOXY COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-11-26 — — 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-20090018355-A1 Process for Crystallizing an Epoxy Compound PTGER1, NR5A1, TCP1 ALDH1A1 938/4885TDP1 3377/4885TP53 3527/4885
US-20090054669-A1 Process For Producing Epoxy Compound RER1, AR, CYP1A1 ALDH1A1 464/4885TDP1 4147/4885TP53 4049/4885

“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.