SCHEMBL29893907

SCHEMBL29893907

COc1ccc2cc(C(C)C(=O)OCCOCCOCCOC(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)ccc2c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
PTGS2 P35354 6/20 0.67
AKR1C3 P42330 3/20 0.64
AKR1C2 P52895 3/20 0.64
PTGS1 P23219 2/20 0.64
TSHR P16473 2/20 0.64
CDC42 P60953 1/20 0.64
RAC1 P63000 1/20 0.64
CYP1A2 P05177 1/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61

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
SCHEMBL13579048 1.00 TDP1 (0.68) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL12742987 1.00 TDP1 (0.68) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL3119083 0.95 PTGS2 (0.62) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL3119087 0.95 PTGS2 (0.62) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL13109330 0.95 PTGS2 (0.62) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL13125440 0.91 PTGS2 (0.58) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL15726409 0.91 PTGS2 (0.58) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL12715087 0.91 PTGS2 (0.58) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL13592731 0.90 TDP1 (0.69) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL18765289 0.89 PTGS2 (0.59) TDP1L3MBTL1PTGS2AKR1C3AKR1C2

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-12509469-B2 Compositions and methods for the treatment of pain and dependence disorders RIPPLE THERAPEUTICS CORPORATION (CA) 2025-12-30 US disclosed
US-20220274999-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PAIN AND DEPENDANCE DISORDERS RIPPLE THERAPEUTICS CORPORATION (CA) 2022-09-01 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-20220274999-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PAIN AND DEPENDANCE DISORDERS OPRL1, OPRK1, OPRM1 TDP1 4195/4885L3MBTL1 2449/4885PTGS2 678/4885
US-12509469-B2 Compositions and methods for the treatment of pain and dependence disorders OPRD1, OPRL1, OPRM1 TDP1 4359/4885L3MBTL1 1839/4885PTGS2 1125/4885

“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.