SCHEMBL13548024

SCHEMBL13548024

CCOC(=O)C1(OC(=O)Cc2cc(C)c(Br)cc2OCC)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL13548041 0.86 TSHR (0.37) TSHRSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL13548044 0.85 KMT2A (0.34) SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL5490079 0.82 L3MBTL1 (0.39) SMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL13548001 0.80 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL3598240 0.79 MEN1 (0.34) SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3603326 0.79 MEN1 (0.34) SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL12029957 0.78 FFAR4 (0.38) TSHRSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL13548008 0.78 CYP19A1 (0.39) TSHRSMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL16511761 0.75 POLB (0.46) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5485798 0.75 NLRP3 (0.35) SMN1; SMN2ALDH1A1KDM4EKMT2A

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 1548/4885HSD17B10 330/4885SMN1; SMN2 310/4885

“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.