SCHEMBL7064236

SCHEMBL7064236

[CH2]C(=O)OC(C)(C)C(=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
ADRB3 P13945 1/20 0.40
HPGD P15428 1/20 0.40
CNR1 P21554 1/20 0.40
ACHE P22303 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL24781353 0.81 TSHR (0.40) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL17738797 0.81 TSHR (0.40) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL7064242 0.81 TSHR (0.52) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL23581532 0.79 TSHR (0.39) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL23292961 0.79 TSHR (0.39) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL27190208 0.79 TSHR (0.39) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL7817817 0.79 LMNA (0.36) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL23293044 0.78 TSHR (0.42) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL23581540 0.78 TSHR (0.42) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL7062816 0.76 HCAR2 (0.38) TSHRMEN1KMT2AUSP2ABCB11

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
US-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LIMITED 2003-11-20 US disclosed
US-6586368-B1 Benzofuran derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 US disclosed
EP-1112268-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND HERBICIDES CONTAINING THEM SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-07-04 EP disclosed
WO-2000015633-A1 CONDENSED HETEROCYLIC COMPOUNDS AND HERBICIDES CONTAINING THEM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-03-23 WO 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-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients CBR3, CBR1, HAAO TSHR 1858/4885MEN1 4239/4885KMT2A 565/4885

“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.