SCHEMBL6766253

SCHEMBL6766253

COC(=O)c1cc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
SLC6A3 Q01959 1/20 0.61
MAPT P10636 6/20 0.53
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.45
PTPN1 P18031 1/20 0.45

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
SCHEMBL18383703 0.85 TSHR (0.66) TSHRSLC6A3MAPTSMN1; SMN2LMNA
SCHEMBL6764011 0.84 MAPT (0.55) TSHRSLC6A3MAPTKMT2ASMN1; SMN2
SCHEMBL15673442 0.84 SMN1; SMN2 (0.55) TSHRSLC6A3MAPTKMT2ASMN1; SMN2
SCHEMBL6764009 0.83 KMT2A (0.54) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL18389669 0.81 MAPT (0.48) TSHRSLC6A3MAPTKMT2ASMN1; SMN2
SCHEMBL27893218 0.81 TSHR (0.59) TSHRSLC6A3MAPTKMT2ASMN1; SMN2
SCHEMBL6763231 0.80 SLC6A3 (0.61) TSHRSLC6A3MAPTKMT2ASMN1; SMN2
SCHEMBL6761365 0.80 LMNA (0.69) TSHRSLC6A3MAPTKMT2ASMN1; SMN2
SCHEMBL15673352 0.80 TPMT (0.56) TSHRSLC6A3MAPTKMT2ASMN1; SMN2
Methyl Benzoate SCHEMBL1332323 0.80 TSHR (1.00) TSHRSLC6A3MAPTKMT2ASMN1; SMN2

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-20040247698-A1 Erectile Dysfunction Treatment VALENZUELA CORTES CARMEN MARIA (CL) 2004-12-09 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-20040247698-A1 Erectile Dysfunction Treatment PDE3A, PDE3B, PDE12 TSHR 4615/4885SLC6A3 414/4885MAPT 1499/4885

“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.