SCHEMBL6759850

SCHEMBL6759850

CCCCOC(=O)c1cc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 7/20 0.46
MAPK1 P28482 4/20 0.46
CYP3A4 P08684 3/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 2/20 0.45
LMNA P02545 5/20 0.45
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ESR1 P03372 1/20 0.42
CYP2D6 P10635 1/20 0.42
NR1H2 P55055 1/20 0.42
RNASEL Q05823 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP2C9 P11712 1/20 0.41
PDE4D Q08499 1/20 0.41
HPGD P15428 3/20 0.41

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
SCHEMBL6759810 0.97 TSHR (0.51) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL6759781 0.96 ALDH1A1 (0.52) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL6762578 0.96 ALDH1A1 (0.52) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL6766260 0.93 LMNA (0.54) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL6767307 0.88 KMT2A (0.47) TSHRALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL6761423 0.86 TSHR (0.52) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL6761475 0.84 TDP1 (0.51) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL6759718 0.83 TSHR (0.53) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL6761470 0.82 ALDH1A1 (0.54) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL6763875 0.82 ALDH1A1 (0.54) TSHRTDP1L3MBTL1ALDH1A1MAPK1

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 4615/4885TDP1 149/4885L3MBTL1 4690/4885

“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.