SCHEMBL13548003

SCHEMBL13548003

CCOC(=O)C1(OC(=O)Cc2cc(C)c(Br)cc2C)CCC(OC)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE1 P56817 1/20 0.33
GRM1 Q13255 5/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31

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
SCHEMBL13547993 0.91 GRM1 (0.33) SMN1; SMN2GRM1
SCHEMBL8580757 0.85 SMN1; SMN2 (0.35) SMN1; SMN2GRM1
SCHEMBL8578003 0.81 MEN1 (0.32) SMN1; SMN2GRM1
SCHEMBL8575823 0.79 KMT2A (0.40) SMN1; SMN2
SCHEMBL8578542 0.79 OPRM1 (0.33) SMN1; SMN2
SCHEMBL5490079 0.77 L3MBTL1 (0.39) SMN1; SMN2
SCHEMBL782518 0.76 L3MBTL1 (0.40)
SCHEMBL8578480 0.76 CHRM2 (0.36) SMN1; SMN2
SCHEMBL3598240 0.76 MEN1 (0.34) SMN1; SMN2
SCHEMBL13548044 0.76 KMT2A (0.34) SMN1; SMN2

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-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

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 TSHR 1548/4885SMN1; SMN2 310/4885BACE1 3736/4885

“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.