SCHEMBL4191902

SCHEMBL4191902

CCCCCC(C)(C)c1cccc(-c2ccc(-c3ccc(OCC4CO4)cc3)cc2)c1OCC1CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
TSHR P16473 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP1A2 P05177 2/20 0.43
PPARG P37231 1/20 0.43
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
GRM2 Q14416 4/20 0.33
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
PARP1 P09874 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
SCHEMBL4202922 0.89 ALDH1A1 (0.40) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL4203672 0.88 TP53 (0.39) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2721587 0.87 ALDH1A1 (0.47) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL4202582 0.81 TP53 (0.36) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL4196208 0.81 TP53 (0.36) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2828964 0.81 ALDH1A1 (0.47) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL4196766 0.80 TP53 (0.40) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL4195134 0.80 ALDH1A1 (0.40) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2717972 0.80 TDP1 (0.42) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2720927 0.80 TDP1 (0.42) ALDH1A1TP53TSHRMAPTHPGD

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 ALDH1A1 938/4885TP53 3527/4885TSHR 1136/4885
US-20090054669-A1 Process For Producing Epoxy Compound RER1, AR, CYP1A1 ALDH1A1 464/4885TP53 4049/4885TSHR 2772/4885

“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.