SCHEMBL3604706

SCHEMBL3604706

CCOC(=O)C1(O)CCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OPRM1 P35372 4/20 0.37
KDM4E B2RXH2 3/20 0.36
ATM Q13315 1/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
ALOX15 P16050 1/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36

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
SCHEMBL1153474 1.00 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL1815035 0.98 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL5411525 0.93 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL542029 0.89
Toluene SCHEMBL27547270 0.85 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ALMNAOPRM1
SCHEMBL254353 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL7259964 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL9806689 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL15105971 0.79 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL17027408 0.79 POLB (0.36) SMN1; SMN2ALDH1A1MEN1KMT2APOLB

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 1 patent. 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

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 SMN1; SMN2 310/4885ALDH1A1 123/4885MEN1 1581/4885

“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.