SCHEMBL3317844

SCHEMBL3317844

CC1(C)[C@H](COCc2ccccc2)C[C@H]1C(O)CO

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
AGTR2 P50052 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
LMNA P02545 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL28513248 0.87 VDR (0.38) TSHRAGTR2TAAR1LMNAPDE4D
SCHEMBL3315476 0.77 TSHR (0.39) TSHRPOLBAGTR2TAAR1LMNA
SCHEMBL28906063 0.77 LMNA (0.42) TSHRHTTAGTR2LMNA
Alcohol SCHEMBL3317840 0.75 TSHR (0.37) TSHRPOLBTAAR1LMNAPDE4D
SCHEMBL3992603 0.73 AGTR2 (0.41) TSHRAGTR2LMNA
SCHEMBL22897358 0.73 TSHR (0.38) TSHRAGTR2TAAR1LMNA
SCHEMBL15927895 0.72 TSHR (0.42) TSHRPOLBTAAR1LMNAPDE4D
SCHEMBL15927905 0.72 TSHR (0.42) TSHRPOLBTAAR1LMNAPDE4D
SCHEMBL17516317 0.72 TSHR (0.42) TSHRPOLBTAAR1LMNAPDE4D
SCHEMBL21017443 0.69 TSHR (0.47) TSHRTAAR1LMNA

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 CA1 4519/4885CA2 4143/4885CA7 4514/4885

“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.