SCHEMBL3317601

SCHEMBL3317601

CC1(C)[C@@H](CCOCc2ccccc2)C[C@H]1CN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.38
SIGMAR1 Q99720 2/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 5/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 3/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PDE4D Q08499 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3318932 1.00 LTA4H (0.38) LTA4HSIGMAR1POLBKMT2AGAA
SCHEMBL3316782 0.89 LTA4H (0.48) LTA4HALDH1A1HTTKDM4EPDE4D
SCHEMBL3316138 0.88 LTA4H (0.47) LTA4HSIGMAR1ALDH1A1HTTKDM4E
SCHEMBL3318052 0.88 LTA4H (0.47) LTA4HSIGMAR1ALDH1A1HTTKDM4E
SCHEMBL3315455 0.88 POLB (0.39) LTA4HSIGMAR1POLBKMT2AGAA
SCHEMBL3317718 0.87 TSHR (0.46) SIGMAR1KMT2AMEN1ALDH1A1DRD4
SCHEMBL3318195 0.87 TSHR (0.46) SIGMAR1KMT2AMEN1ALDH1A1DRD4
SCHEMBL3318258 0.87 RAB9A (0.41) LTA4HSIGMAR1KMT2AGAAMEN1
SCHEMBL3318807 0.87 RAB9A (0.41) LTA4HSIGMAR1KMT2AGAAMEN1
SCHEMBL3318043 0.86 LTA4H (0.37) LTA4HSIGMAR1ALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066648-B1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2017-04-12 EP claimed
US-20100105680-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-29 US claimed
EP-2066648-B1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2017-04-12 EP disclosed
US-20100105680-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-29 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-20100105680-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS SIGMAR1, TMEM97, OPRK1 LTA4H 2281/4885SIGMAR1 1/4885POLB 830/4885

“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.