SCHEMBL6762604

SCHEMBL6762604

CC(=O)c1c(C(=O)O)cc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.51
ESR2 Q92731 2/20 0.51
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 8/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HMGB1 P09429 1/20 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
SCHEMBL6761214 0.89 SLC6A3 (0.58) ESR1ESR2SLC6A3KMT2AMAPT
SCHEMBL6767307 0.85 KMT2A (0.47) SLC6A3KMT2AMAPTSMN1; SMN2HSD17B10
SCHEMBL6761475 0.83 TDP1 (0.51) ESR1ESR2SLC6A3KMT2AMAPT
SCHEMBL6766260 0.83 LMNA (0.54) ESR1ESR2SLC6A3KMT2AMAPT
SCHEMBL6766605 0.82 ESR1 (0.54) ESR1ESR2SLC6A3KMT2AMAPT
SCHEMBL6759850 0.81 TSHR (0.50) ESR1KMT2AMAPTSMN1; SMN2HSD17B10
SCHEMBL6762181 0.81 ESR1 (0.52) ESR1ESR2SLC6A3KMT2AMAPT
SCHEMBL6767288 0.81 ESR1 (0.59) ESR1ESR2SLC6A3KMT2AMAPT
SCHEMBL6759810 0.81 TSHR (0.51) KMT2AMAPTSMN1; SMN2HSD17B10LMNA
SCHEMBL9752574 0.80 KMT2A (0.50) ESR1ESR2SLC6A3KMT2AMAPT

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 ESR1 189/4885ESR2 102/4885SLC6A3 414/4885

“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.