SCHEMBL21049840

SCHEMBL21049840

C#CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.70
HSD17B10 Q99714 2/20 0.39
CYP2D6 P10635 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
LMNA P02545 3/20 0.33
NFKB1 P19838 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
BBOX1 O75936 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.31
NPC1 O15118 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
SCHEMBL19544557 1.00 TSHR (0.70) TSHRHSD17B10CYP2D6MAPTCYP1A2
SCHEMBL21049848 1.00 TSHR (0.70) TSHRHSD17B10CYP2D6MAPTCYP1A2
SCHEMBL932686 1.00 TSHR (0.70) TSHRHSD17B10CYP2D6MAPTCYP1A2
SCHEMBL12092183 1.00 TSHR (0.70) TSHRHSD17B10CYP2D6MAPTCYP1A2
SCHEMBL19316994 1.00 TSHR (0.70) TSHRHSD17B10CYP2D6MAPTCYP1A2
SCHEMBL12505785 1.00 TSHR (0.70) TSHRHSD17B10CYP2D6MAPTCYP1A2
SCHEMBL31618958 1.00 TSHR (0.70) TSHRHSD17B10CYP2D6MAPTCYP1A2
SCHEMBL3489828 0.96
SCHEMBL26689876 0.89 TSHR (0.58) TSHRHSD17B10CYP2D6MAPTCYP1A2
SCHEMBL30302153 0.88 TSHR (0.92) TSHRHSD17B10CYP2D6MAPTCYP1A2

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-20230105982-A1 INSULIN-INCRETIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2023-04-06 US disclosed
US-20190175744-A1 INSULIN-INCRETIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2019-06-13 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-20190175744-A1 INSULIN-INCRETIN CONJUGATES GIPR, GLP1R, GCGR TSHR 116/4885HSD17B10 1566/4885CYP2D6 4421/4885
US-20230105982-A1 INSULIN-INCRETIN CONJUGATES GIPR, GLP1R, GCGR TSHR 116/4885HSD17B10 1566/4885CYP2D6 4421/4885

“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.