SCHEMBL3318934

SCHEMBL3318934

CC1(C)[C@@H](CC(=O)O)C[C@H]1CN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
GLA P06280 1/20 0.40
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPK1 P28482 1/20 0.35
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
LMNA P02545 2/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THRB P10828 1/20 0.32
PAOX Q6QHF9 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3313501 1.00 HSD17B10 (0.42) HSD17B10GLAALDH1A1KDM4EMAPK1
SCHEMBL3319879 0.84 CYP1A2 (0.36) ALDH1A1MAPK1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL3318906 0.84 CYP1A2 (0.36) ALDH1A1MAPK1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL3319126 0.81 SMN1; SMN2 (0.39) HSD17B10ALDH1A1KDM4EMAPK1MEN1
SCHEMBL3318503 0.78 KDM4E (0.38) HSD17B10ALDH1A1KDM4EMAPK1TSHR
SCHEMBL3315479 0.78 KDM4E (0.38) HSD17B10ALDH1A1KDM4EMAPK1TSHR
Alcohol SCHEMBL3313269 0.76 KDM4E (0.36) ALDH1A1KDM4EMAPK1TSHRLMNA
SCHEMBL18723467 0.72 GAA (0.35) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL3319955 0.71 GRM2 (0.39) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3318990 0.71 GRM2 (0.39) CYP1A2CYP2D6CYP2C9CYP2C19

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 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
EP-2066648-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-06-10 EP disclosed
WO-2008015266-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-02-07 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-20100105680-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS SIGMAR1, TMEM97, OPRK1 HSD17B10 3313/4885GLA 3939/4885ALDH1A1 1719/4885

“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.