SCHEMBL4196208

SCHEMBL4196208

CCCCCC(C)(C)c1cccc(C2=CCC(c3ccc(OCC4CO4)cc3)C=C2)c1OCC1CO1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.36
TSHR P16473 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL2719125 0.90 TP53 (0.38) TP53TSHRMAPTHPGDMEN1
SCHEMBL2719714 0.83 TDP1 (0.34) TP53TSHRMAPTHPGDMEN1
SCHEMBL2718545 0.83 TDP1 (0.34) TP53TSHRMAPTHPGDMEN1
SCHEMBL2827501 0.82 TP53 (0.36) TP53TSHRMAPTHPGDMEN1
SCHEMBL4191902 0.81 ALDH1A1 (0.43) TP53TSHRMAPTHPGDMEN1
SCHEMBL4207484 0.80 ALDH1A1 (0.39) TP53TSHRMAPTHPGDMEN1
SCHEMBL4202582 0.80 TP53 (0.36) TP53TSHRMAPTHPGDMEN1
SCHEMBL2720601 0.78 ALDH1A1 (0.34) TP53TSHRMAPTHPGDMEN1
SCHEMBL4203672 0.78 TP53 (0.39) TP53TSHRMAPTHPGDMEN1
SCHEMBL4195134 0.78 ALDH1A1 (0.40) TP53TSHRMAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TP53 3527/4885TSHR 1136/4885MAPT 2433/4885
US-20090054669-A1 Process For Producing Epoxy Compound RER1, AR, CYP1A1 TP53 4049/4885TSHR 2772/4885MAPT 4405/4885

“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.