SCHEMBL3598240

SCHEMBL3598240

CCOC(=O)C1(OC(=O)Cc2cc(Cl)c(Br)cc2C)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 2/20 0.33
PDE7B Q9NP56 1/20 0.32
ALDH1A1 P00352 3/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
THRB P10828 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CYP19A1 P11511 1/20 0.30
LMNA P02545 1/20 0.30
NLRP3 Q96P20 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30

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
SCHEMBL3603326 1.00 MEN1 (0.34) MEN1KMT2AOPRM1PDE7BALDH1A1
SCHEMBL13548044 0.86 KMT2A (0.34) MEN1KMT2AOPRM1PDE7BALDH1A1
SCHEMBL13547993 0.86 GRM1 (0.33) OPRM1SLC6A4SLC6A3SMN1; SMN2GAA
SCHEMBL5490079 0.86 L3MBTL1 (0.39) MEN1KMT2AOPRM1ALDH1A1SLC6A4
SCHEMBL13548018 0.84 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13548001 0.83 ALDH1A1 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2CYP19A1
SCHEMBL12029957 0.81 FFAR4 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL18958947 0.81 KMT2A (0.49) MEN1KMT2AALDH1A1THRBL3MBTL1
SCHEMBL7132163 0.80 ALDH1A1 (0.47) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL13548040 0.80 KMT2A (0.40) MEN1KMT2AOPRM1ALDH1A1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022527-A1 BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2010-01-28 US disclosed
US-20100022527-A1 BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2010-01-28 US disclosed
WO-2008022725-A1 BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISORDERS AICURIS GMBH & CO. KG (DE) 2008-02-28 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-20100022527-A1 BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISEASES DHFR, RORA, CYP2A6 MEN1 1581/4885KMT2A 1554/4885OPRM1 3123/4885

“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.