SCHEMBL23940765

SCHEMBL23940765

CCc1cc(O)c(C(C)(C)C)c(CC)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.36
RCE1 Q9Y256 1/20 0.36
GCGR P47871 1/20 0.35
USP7 Q93009 2/20 0.35
CNR2 P34972 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CHEK1 O14757 1/20 0.35
WEE1 P30291 1/20 0.35
PTPN5 P54829 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL29287975 0.79 CNR2 (0.44) ESR1ESR2POLBRECQLSMN1; SMN2
SCHEMBL25144823 0.75 GCGR (0.44) ESR1ESR2POLBRECQLSMN1; SMN2
SCHEMBL27957737 0.74 ESR1 (0.50) ESR1ESR2POLBRECQLSMN1; SMN2
SCHEMBL21177982 0.74 PDE4B (0.42) KDM4ERCE1GABRA1GABRB2PTPN5
SCHEMBL11414380 0.74 ESR1 (0.46) ESR1ESR2POLBRECQLSMN1; SMN2
SCHEMBL28286921 0.74 GABRA1 (0.42) ESR1ESR2POLBRECQLSMN1; SMN2
SCHEMBL23940774 0.73 PTPN5 (0.40) POLBRECQLSMN1; SMN2KDM4ERCE1
SCHEMBL27588954 0.72 ACMSD (0.45) SMN1; SMN2KDM4E
SCHEMBL23940766 0.71 ESR2 (0.47) ESR1ESR2POLBRECQLSMN1; SMN2
SCHEMBL27747965 0.70 L3MBTL1 (0.39) SMN1; SMN2KDM4ERCE1

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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US disclosed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO 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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS CYP2B6, TYR, CYP2D6 ESR1 972/4885ESR2 756/4885POLB 2049/4885

“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.