SCHEMBL6984400

SCHEMBL6984400

COC(=O)CC(C)(C)CC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
HSD17B10 Q99714 3/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TET2 Q6N021 1/20 0.37
CA12 O43570 3/20 0.35
CA14 Q9ULX7 3/20 0.35
RECQL P46063 2/20 0.35
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 3/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL667630 0.85 TSHR (0.50) TSHRHSD17B10MGAMGAASI
SCHEMBL18844718 0.83 ALDH1A1 (0.35) KDM4EALDH1A1
SCHEMBL14926721 0.82 MEN1 (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL11395424 0.82 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL18753257 0.82 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL18903926 0.82 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL5073286 0.81 MIF (0.33)
SCHEMBL20804912 0.80 KDM4E (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL17013836 0.80 TSHR (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL22134613 0.80 TSHR (0.37) TSHRHSD17B10MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022015940-A1 OCULAR INSERT CONTAINING A GLUCOCORTICOID OCULAR THERAPEUTIX, INC. (US) 2022-01-20 WO disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 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 (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-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR TSHR 238/4885HSD17B10 4063/4885MGAM 3200/4885

“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.