SCHEMBL29688152

SCHEMBL29688152

CCOC(=O)[C@@H]1C[C@@]1(c1ccccc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRM1 P35372 5/20 0.43
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
SLC22A1 O15245 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL29688113 1.00 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTTSHRMEN1
SCHEMBL23375509 1.00 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTTSHRMEN1
SCHEMBL21439250 1.00 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTTSHRMEN1
SCHEMBL23375776 0.81 ALDH1A1 (0.37) ALDH1A1L3MBTL1HTTTSHRKDM4E
SCHEMBL21447477 0.81 CCR2 (0.41) ALDH1A1KMT2AHPGD
SCHEMBL23435289 0.81 CCR2 (0.41) ALDH1A1KMT2AHPGD
SCHEMBL21447376 0.81 CCR2 (0.41) ALDH1A1KMT2AHPGD
SCHEMBL21439085 0.81 CCR2 (0.41) ALDH1A1KMT2AHPGD
SCHEMBL6081939 0.80 LMNA (0.51) ALDH1A1L3MBTL1HTTTSHRMEN1
SCHEMBL1375795 0.79 ALDH1A1 (0.44) ALDH1A1L3MBTL1HTTTSHRMEN1

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
EP-3774722-B1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE INC (US) 2024-07-24 EP disclosed
US-11352316-B2 Opioid receptor modulators and products and methods related thereto EPIODYNE, INC. (US) 2022-06-07 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-11352316-B2 Opioid receptor modulators and products and methods related thereto OPRM1, OPRD1, OPRK1 ALDH1A1 1571/4885L3MBTL1 1111/4885HTT 3236/4885

“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.