SCHEMBL24572017

SCHEMBL24572017

c1ccc(COCC2O[C@@H]2COCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
TAAR1 Q96RJ0 1/20 0.49
LMNA P02545 1/20 0.49
SLC6A2 P23975 1/20 0.46
HTR1A P08908 1/20 0.45
IDO1 P14902 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
HRH4 Q9H3N8 4/20 0.43
HRH3 Q9Y5N1 4/20 0.43
PDE4D Q08499 1/20 0.43
AGXT P21549 1/20 0.43

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
SCHEMBL2386075 1.00 TSHR (0.61) TSHRTAAR1LMNASLC6A2HTR1A
SCHEMBL9679098 1.00 TSHR (0.61) TSHRTAAR1LMNASLC6A2HTR1A
SCHEMBL13941992 1.00 TSHR (0.61) TSHRTAAR1LMNASLC6A2HTR1A
SCHEMBL24215035 1.00 TSHR (0.61) TSHRTAAR1LMNASLC6A2HTR1A
SCHEMBL4140966 0.90 SLC6A2 (0.53) TSHRTAAR1LMNASLC6A2HTR1A
SCHEMBL4140963 0.90 SLC6A2 (0.53) TSHRTAAR1LMNASLC6A2HTR1A
SCHEMBL8662256 0.90 SLC6A2 (0.53) TSHRTAAR1LMNASLC6A2HTR1A
SCHEMBL7349197 0.90 SLC6A2 (0.53) TSHRTAAR1LMNASLC6A2HTR1A
SCHEMBL7344189 0.90 SLC6A2 (0.53) TSHRTAAR1LMNASLC6A2HTR1A
SCHEMBL4140962 0.90 SLC6A2 (0.53) TSHRTAAR1LMNASLC6A2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204433-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF ELDECALCITOL FAES FARMA, S.A. (ES) 2022-06-30 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-20220204433-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF ELDECALCITOL CYP24A1, CYP2R1, PTH1R TSHR 1961/4885TAAR1 4736/4885LMNA 988/4885

“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.